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556-61-6

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556-61-6 Usage

Description

Methyl iso thio cyanate is the organo sulfur compound with the formula CH3N = C = S . This low melting colorless solid is a powerful lachrymator. As a precursor to a variety of valuable bioactive compounds, it is the most important organic iso thio cyanate in industry.

Chemical Properties

Different sources of media describe the Chemical Properties of 556-61-6 differently. You can refer to the following data:
1. colourless solid
2. Methyl isothiocyanate is a crystalline solid. Horseradish, acrid odor.
3. Colorless to tan liquid; pungent, penetrating, mustard-like odor.

Occurrence

Reported found in horseradish.

Uses

Different sources of media describe the Uses of 556-61-6 differently. You can refer to the following data:
1. Usually used to study the effect of pesticide Metam (methyl isothiocyanate is its active ingredient) in the streamside microbial communities of the upper Sacramento river
2. Pesticide; soil fumigant.
3. Pesticide and soil fumigant used to control insects, soil fungi, nematodes.

Application

Solutions of MITC are used in agriculture as soil fumigants, mainly for protection against fungi and nematodes. MITC is a building block for the synthesis of 1,3,4 - thiadiazoles, which are heterocyclic compounds used as herbicides. Commercial products include "Spike", "Ustilan," and "Erbotan." Well known pharmaceuticals prepared using MITC include Zantac and Tagamet.

Definition

ChEBI: An isothiocyanate having a methyl group attached to the nitrogen.

Reactions

A characteristic reaction is with amines to give methyl thioureas: CH3NCS + R2NH → R2NC(S)NHCH3 Other nucleophiles add similarly.

Aroma threshold values

Very high strength odor; recommend smelling in a 0.01% solution or less

General Description

A colorless liquid with a sharp odor. Lethal by inhalation of even small quantities of vapor. Does not have odor warning characteristics at low concentrations. Do not rely on the sense of smell to warn about the presence of vapors. Denser than water. Flash point below 20°F. May cause tearing and irritate the eyes, skin, nose and throat.

Air & Water Reactions

Highly flammable. Methyl isothiocyanate reacts with water to form carbon dioxide and methylamine gases.

Reactivity Profile

Isocyanates and thioisocyanates, such as Methyl isothiocyanate, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Polyurethanes are formed by the condensation reaction of diisocyanates with, for example, ethyl glycol.

Hazard

Toxic by ingestion, strong irritant to eyesand skin.

Health Hazard

Very toxic; probable human oral lethal dose is 50-500 mg/kg, or between 1 teaspoonful and 1 oz. for a 70 kg (150 lb.) person. Highly irritating to skin, mucous membrances, and eyes. Human oral minimum lethal dose: approximately 1 g/kg.

Fire Hazard

(Non-Specific -- Pesticide, Solid, n.o.s.) Methyl isothiocyanate may burn, but does not ignite readily. Fire may produce irritating or poisonous gases. When heated Methyl isothiocyanate emits very dangerous cyanides and sulfur compounds. Do not store below -4F or at elevated temperatures. Keep away from sparks.

Flammability and Explosibility

Nonflammable

Safety

MITC is a dangerous lachrymator as well as being poisonous.

Synthesis

It is prepared industrially by two routes. Annual production in 1993 was estimated to be 4M kg. The main method involves the thermal rearrangement of methyl thio cyanate : CH3S - C ≡ N → CH3N = C = S It is also prepared via with the reaction of methylamine with carbon disulfide followed by oxidation of the resulting dithio carbamate with hydrogen peroxide. A related method is useful to prepare this compound in the laboratory. MITC forms naturally upon the enzymatic degradation of gluco capparin , a modified sugar found in capers.

Potential Exposure

It is used as a soil fumigant. A mixture of methyl isothiocyanate and chlorinated C-3 hydrocarbons is used as a soil fumigant for control of weeds, fungi, insects, and nematodes.

Environmental Fate

Soil. Though no products were reported, the reported half-life in soil is <14 days (Worthing and Hance, 1991). Chemical/Physical. Emits toxic fumes of nitrogen and sulfur oxides when heated to decomposition (Sax and Lewis, 1987).

Metabolic pathway

Methyl isothiocyanate is slowly decomposed in pure water, forming methylamine. It is metabolised in rats to the mercapturate via the glutathione conjugate which serves as a potential source of methyl isothiocyanate. Methyl isothiocyanate is reactive with cellular thiols and amines and its toxicity is associated with these reactions.

Shipping

UN2477 Methyl isothiocyanate, Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 3-Flammable liquid, Inhalation Hazard Zone B.

Degradation

Methyl isothiocyanate is unstable and reactive. It is rapidly hydrolysed by alkalis but more slowly in acidic or neutral solutions. DT50 values for hydrolysis were 85,490 and 110 hours at pH 5,7 and 9, respectively. It is sensitive to oxgen and to light (PM). The relatively slow hydrolysis of methyl isothiocyanate in pure water can be accelerated by adding high concentrations of acid. Thiocarbamic acid is formed that in turn decomposes rapidly to protonated methylamine. Addition of water to the isothiocyanate N=C bond via a mechanism involving synchronous nucleophilic attack at carbon and proton transfer to nitrogen with a cyclic transition state is proposed. Methyl isothiocyanate is 107 times less susceptible to acid catalysis in water than its O-analogue (Joseph et al., 1992). It will also combine with various essential nucleophilic centres in biological systems. For example, it reacts with cysteine in vitro, forming a dithiocarbamate derivative in solutions of pH greater than 6 (Goksoyr, 1964). The fungicide is photolysed in the gas phase with a half life of 10 hours under irradiation from a xenon arc lamp and slightly more than one day for late summer sunlight in Nevada, USA. The relatively rapid photolysis of methyl isothiocyanate had not previously been observed in other experiments in aqueous solutions where rates were 20 times slower. Products of photolysis were methyl isocyanide (2), sulfur dioxide, hydrogen sulfide, N-methylformamide (3), methylamine and carbonyl sulfide. Methyl isocyanide (2) was initially the main product and it yielded methyl isocyanate (4) (Geddes et al., 1995).

Toxicity evaluation

MITC stimulates chemesthesis, the activation of receptors associated with sensations of pain, touch, or thermal perception, through activation of transient receptor potential (TRPA1) ion channels. Isothiocyanate molecules have an electrophilic carbon atom that reacts with nucleophilic components, such as cysteine residues in the TRPA1 channels that are highly sensitive and serve as a warning mechanism to prevent tissue damage. MITC can form a reversible covalent bond with receptors to stimulate a reaction instead of acting directly through tissue damage. MITC is less potent than other isothiocyanates, such as allyl isothiocyanate (i.e., the active component of horseradish, wasabi, and mustard). At low concentrations, endogenous nucleophiles (e.g., GSH) may neutralize the electrophilic carbon and, therefore, prevent damage, but as concentrations increase their effectiveness decreases. Although the mode of action of MITC for systemic toxicity is not known, MITC is proposed to react with, and inactivate, the sulfhydryl group of essential enzymes in living organisms.

Incompatibilities

Dust may form explosive mixture with air. Reacts with water, releasing carbon dioxide and methylamine gases. Unstable and reactive; sensitive to oxygen and to light. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, alcohols, strong bases, amines, water, heat and cold. Attacks iron, zinc and other metals

Check Digit Verification of cas no

The CAS Registry Mumber 556-61-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,5 and 6 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 556-61:
(5*5)+(4*5)+(3*6)+(2*6)+(1*1)=76
76 % 10 = 6
So 556-61-6 is a valid CAS Registry Number.
InChI:InChI=1/C2H3NS/c1-3-2-4/h1H3

556-61-6 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (A11757)  Methyl isothiocyanate, 98%   

  • 556-61-6

  • 25g

  • 167.0CNY

  • Detail
  • Alfa Aesar

  • (A11757)  Methyl isothiocyanate, 98%   

  • 556-61-6

  • 100g

  • 237.0CNY

  • Detail
  • Alfa Aesar

  • (A11757)  Methyl isothiocyanate, 98%   

  • 556-61-6

  • 500g

  • 875.0CNY

  • Detail
  • Alfa Aesar

  • (A11757)  Methyl isothiocyanate, 98%   

  • 556-61-6

  • 2500g

  • 3615.0CNY

  • Detail

556-61-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl isothiocyanate

1.2 Other means of identification

Product number -
Other names Methane, isothiocyanato-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:556-61-6 SDS

556-61-6Synthetic route

Methyldithiocarbamidsaeure-ethylester
52664-26-3

Methyldithiocarbamidsaeure-ethylester

A

methyl thioisocyanate
556-61-6

methyl thioisocyanate

B

ethanethiol
75-08-1

ethanethiol

Conditions
ConditionsYield
at 250 - 260℃;A 96%
B n/a
sodium N-methyldithiocarbamate
137-42-8

sodium N-methyldithiocarbamate

N-phenyl-benzimidoyl chloride
4903-36-0

N-phenyl-benzimidoyl chloride

A

methyl thioisocyanate
556-61-6

methyl thioisocyanate

B

N-Phenylbenzothioamide
636-04-4

N-Phenylbenzothioamide

Conditions
ConditionsYield
In diethyl ether 0 deg C to r.t.;A 51%
B 95%
O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate
82561-29-3

O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate

A

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
82597-70-4

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With methyl isocyanate for 24h; Ambient temperature; then distillation;A 90%
B 92%
methyl isocyanate
624-83-9

methyl isocyanate

A

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
82597-70-4

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate for 24h;A 90%
B 92%
O-(trimethylsilyl) <<(1,2-dimethylethylene)dioxy>phosphinothioyl>methylthiocarbamate

O-(trimethylsilyl) <<(1,2-dimethylethylene)dioxy>phosphinothioyl>methylthiocarbamate

A

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
82597-70-4

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
for 24h; Ambient temperature; then distillation;A 90%
B 92%
carbon disulfide
75-15-0

carbon disulfide

N-methyl-P,P,P-triphenylphosphine imide
17986-01-5

N-methyl-P,P,P-triphenylphosphine imide

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
In benzene for 2h; Heating;80%
carbon disulfide
75-15-0

carbon disulfide

methylamine hydrochloride
593-51-1

methylamine hydrochloride

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
Stage #1: carbon disulfide; methylamine hydrochloride With sodium hydroxide In water at 10 - 85℃;
Stage #2: With chloroformic acid ethyl ester at 35 - 40℃;
61%
Stage #1: carbon disulfide; methylamine hydrochloride With sodium hydroxide In water at 10 - 40℃; for 2h;
Stage #2: With chloroformic acid ethyl ester In water for 1.5h;
61%
1,3-dimethyltetraphenylcyclodigermazane
67601-94-9

1,3-dimethyltetraphenylcyclodigermazane

A

((C6H5)2GeS)2
84973-35-3

((C6H5)2GeS)2

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With carbon disulfide In benzene-d6 under Ar or N2, PhNCO and CS2 were added to a soln. of (Ph2GeNMe)2, 12 h at 20°C; gas chromy.;A 40.5%
B 39%
methylamine
74-89-5

methylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
Stage #1: methylamine With carbon disulfide; triethylamine at 0℃; for 2h;
Stage #2: With lead(II) nitrate; sulfuric acid In water Further stages.;
24.98%
1,3-dimethyltetraphenylcyclodigermazane
67601-94-9

1,3-dimethyltetraphenylcyclodigermazane

phenyl isothiocyanate
103-72-0

phenyl isothiocyanate

A

((C6H5)2GeS)2
84973-35-3

((C6H5)2GeS)2

B

(C2N3Ge)(C6H5)4(S)2CH3
84973-41-1

(C2N3Ge)(C6H5)4(S)2CH3

C

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
In benzene-d6 under Ar or N2, PhNCS was added to a soln. of (Ph2GeNMe)2, 17 h at 100°C;A 20%
B 45-65
C 22%
carbon disulfide
75-15-0

carbon disulfide

C13H13NPS(1-)*Na(1+)

C13H13NPS(1-)*Na(1+)

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
Ambient temperature;20%
2-iodo-propane
75-30-9

2-iodo-propane

N,N'-dimethylthioperoxydicarbamic acid
2438-90-6

N,N'-dimethylthioperoxydicarbamic acid

A

diisopropyl sulfide
4253-89-8

diisopropyl sulfide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

methyl thiocyanate
556-64-9

methyl thiocyanate

A

2,4,6-tris(methylthio)-1,3,5-triazine
5759-58-0

2,4,6-tris(methylthio)-1,3,5-triazine

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With hydrogenchloride at 180 - 185℃;
With sulfuric acid at 180 - 185℃;
methyl thiocyanate
556-64-9

methyl thiocyanate

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
beim Erhitzen;
With cadmium(II) iodide
With sulfuric acid
N,N'-dimethylthioperoxydicarbamic acid
2438-90-6

N,N'-dimethylthioperoxydicarbamic acid

chloroform
67-66-3

chloroform

methyl thioisocyanate
556-61-6

methyl thioisocyanate

N,N'-dimethylthioperoxydicarbamic acid
2438-90-6

N,N'-dimethylthioperoxydicarbamic acid

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With water
With ethanol
dimethyl-μ-disulfido-1,2-dithio-dicarbonimidic acid dimethyl ester

dimethyl-μ-disulfido-1,2-dithio-dicarbonimidic acid dimethyl ester

A

Dimethyldisulphide
624-92-0

Dimethyldisulphide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
beim Erhitzen;
S-methyl N-methyl dithiocarbamate
13037-11-1

S-methyl N-methyl dithiocarbamate

A

methylthiol
74-93-1

methylthiol

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
beim Erhitzen unter gewoehnlichem Druck;
potassium thioacyanate
333-20-0

potassium thioacyanate

tertamethylammonium iodide
75-58-1

tertamethylammonium iodide

A

methyl thiocyanate
556-64-9

methyl thiocyanate

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

C

trimethylamine
75-50-3

trimethylamine

Conditions
ConditionsYield
at 210℃;
carbon disulfide
75-15-0

carbon disulfide

methylamine
74-89-5

methylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

thiophosgene
463-71-8

thiophosgene

methylamine
74-89-5

methylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With chloroform; water
With calcium carbonate In dichloromethane; water at 20℃; for 2h;
carbon disulfide
75-15-0

carbon disulfide

N-methyl-P,P,P-triphenylphosphine imide
17986-01-5

N-methyl-P,P,P-triphenylphosphine imide

A

methyl thioisocyanate
556-61-6

methyl thioisocyanate

B

triphenylphosphine sulfide
3878-45-3

triphenylphosphine sulfide

carbon disulfide
75-15-0

carbon disulfide

N-methyl-2,2,2-trifluoroacetamide
815-06-5

N-methyl-2,2,2-trifluoroacetamide

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With sodium hydroxide; potassium carbonate In acetonitrile at 25℃; for 0.5h;82 % Chromat.
With potassium carbonate; sodium hydroxide In acetonitrile at 25℃; for 0.75h;
carbon disulfide
75-15-0

carbon disulfide

C4H12NSi(1-)

C4H12NSi(1-)

A

trimethyl-silanethiol
18338-27-7

trimethyl-silanethiol

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
at 298℃; under 0.3 Torr; Rate constant;
O-methyl N,N-dimethylthiocarbamate
16703-45-0

O-methyl N,N-dimethylthiocarbamate

A

dimethylsulfide
75-18-3

dimethylsulfide

B

N-methylmethanimine
1761-67-7

N-methylmethanimine

C

S-methyl dimethylthiocarbamate
3013-02-3

S-methyl dimethylthiocarbamate

D

methyl isocyanate
624-83-9

methyl isocyanate

E

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
at 769.9℃; Product distribution; gas-phase pyrolysis and isomerisation;
S-methyl dimethylthiocarbamate
3013-02-3

S-methyl dimethylthiocarbamate

A

dimethylsulfide
75-18-3

dimethylsulfide

B

N-methylmethanimine
1761-67-7

N-methylmethanimine

C

methyl isocyanate
624-83-9

methyl isocyanate

D

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
at 769.9℃; Product distribution; gas-phase pyrolysis;
3-ethylidene-pentane-2,4-dione
15181-39-2, 67556-21-2, 67556-22-3

3-ethylidene-pentane-2,4-dione

dimethyl phosphoroisothiocyanatidite
75532-40-0

dimethyl phosphoroisothiocyanatidite

A

methyl thioisocyanate
556-61-6

methyl thioisocyanate

B

3,5-dimethyl-2-methoxy-2-oxo-4-acetyl-1,2-oxaphosphol-4-ene
15301-33-4

3,5-dimethyl-2-methoxy-2-oxo-4-acetyl-1,2-oxaphosphol-4-ene

Conditions
ConditionsYield
at -5 - 0℃; overnight; Yield given. Yields of byproduct given;
methyl isocyanate
593-75-9, 685498-28-6

methyl isocyanate

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With selenium; sulfur; triethylamine In tetrahydrofuran for 1.5h; Heating;95 % Chromat.
With sulfur; triethylamine; tellurium In tetrahydrofuran for 3.5h; Heating;94 % Chromat.
4-methoxy-aniline
104-94-9

4-methoxy-aniline

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(4-methoxyphenyl)-3-methyl-thiourea
20333-73-7

1-(4-methoxyphenyl)-3-methyl-thiourea

Conditions
ConditionsYield
at 20℃; for 24h; Addition; solid-phase reaction;100%
With ethanol
In ethanol for 1h; Heating;
In ethanol Reflux;
methyl thioisocyanate
556-61-6

methyl thioisocyanate

methylamine
74-89-5

methylamine

N,N-dimethylthiourea
534-13-4

N,N-dimethylthiourea

Conditions
ConditionsYield
at 0℃; under 375.03 Torr; Addition; solid-gas reaction;100%
methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(methyl)-thiourea
598-52-7

1-(methyl)-thiourea

Conditions
ConditionsYield
With ammonia at 0℃; under 375.03 Torr; Addition; solid-gas reaction;100%
With ammonia89%
With ammonium hydroxide85%
oxalyl dichloride
79-37-8

oxalyl dichloride

methyl thioisocyanate
556-61-6

methyl thioisocyanate

3-methyl-2,2-dichlorothiazolidine-4,5-dione
91466-83-0

3-methyl-2,2-dichlorothiazolidine-4,5-dione

Conditions
ConditionsYield
Ambient temperature; other alkyloxalylchloride, other isocyanates and isothiocyanates;100%
Ambient temperature;100%
methyl thioisocyanate
556-61-6

methyl thioisocyanate

2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

2-mercapto-3-methyl-3,4-dihydroquinazolin-4-one
1705-09-5

2-mercapto-3-methyl-3,4-dihydroquinazolin-4-one

Conditions
ConditionsYield
In neat (no solvent) for 72h; Ambient temperature;100%
4-chloro-aniline
106-47-8

4-chloro-aniline

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(4-chloro-phenyl)-3-methyl-thiourea
2740-97-8

1-(4-chloro-phenyl)-3-methyl-thiourea

Conditions
ConditionsYield
at 20℃; for 24h; Addition; solid-phase reaction;100%
In methanol for 1h; Heating;80%
In ethanol for 1h; Heating;
In acetonitrile at 40℃;
methyl thioisocyanate
556-61-6

methyl thioisocyanate

4-bromo-aniline
106-40-1

4-bromo-aniline

1-(4-bromophenyl)-3-methyl-thiourea
61449-55-6

1-(4-bromophenyl)-3-methyl-thiourea

Conditions
ConditionsYield
at 20℃; for 24h; Addition; solid-phase reaction;100%
In ethanol for 1h; Heating;
ethylamine
75-04-7

ethylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1,1,3-trimethylthiourea
2489-77-2

1,1,3-trimethylthiourea

Conditions
ConditionsYield
at 0℃; under 375.03 Torr; Addition; solid-gas reaction;100%
1-methyl-piperazine
109-01-3

1-methyl-piperazine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

N,4-dimethylpiperazine-1-carbothioamide
64574-95-4

N,4-dimethylpiperazine-1-carbothioamide

Conditions
ConditionsYield
With triethylamine In diethyl ether at 20℃;100%
In chloroform at 20℃; for 0.166667h;
3-((R)-3-Piperidin-2-yl-isoxazol-5-yl)-benzonitrile
956297-48-6

3-((R)-3-Piperidin-2-yl-isoxazol-5-yl)-benzonitrile

methyl thioisocyanate
556-61-6

methyl thioisocyanate

(R)-2-[5-(3-cyano-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide
956297-52-2

(R)-2-[5-(3-cyano-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide

Conditions
ConditionsYield
In chloroform at 20℃;100%
3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]morpholine
863647-27-2

3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]morpholine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylmorpholine-4-carbothioamide
863647-29-4

3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylmorpholine-4-carbothioamide

Conditions
ConditionsYield
In chloroform at 20 - 60℃;100%
2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine
863646-53-1

2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide
863646-57-5

2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide

Conditions
ConditionsYield
In dichloromethane at 20℃; for 12h;100%
3-[4-(3-amino-phenylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-1-morpholin-4-yl-propenone

3-[4-(3-amino-phenylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-1-morpholin-4-yl-propenone

methyl thioisocyanate
556-61-6

methyl thioisocyanate

C23H21F6N3O2S2

C23H21F6N3O2S2

Conditions
ConditionsYield
In tetrahydrofuran100%
(4R,5R)-2,2-dibutyl-4,5-dimethyl-1,3,2-dioxastannolane
88341-32-6

(4R,5R)-2,2-dibutyl-4,5-dimethyl-1,3,2-dioxastannolane

(4R,5R)-2,2-di-n-butyl-4,5-dimethyl-1,3,2-dioxastannolane
5271-63-6

(4R,5R)-2,2-di-n-butyl-4,5-dimethyl-1,3,2-dioxastannolane

methyl thioisocyanate
556-61-6

methyl thioisocyanate

A

cis-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine
134110-59-1

cis-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine

B

trans-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine
134110-60-4

trans-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine

C

di-n-butyltinmercaptid
4253-22-9

di-n-butyltinmercaptid

Conditions
ConditionsYield
In 1,2-dichloro-ethane addn.of PhNCS to a soln. of the Sn-compound under N2; stirred at 40°C for 1.0 h; solvent was removed in vac.; column chromy. (silica gel; eluent: C6H6); vac. distn.; elem. anal.; NMR; IR; mass spectra;A 100%
B 12%
C n/a
3-amino-1-(4-methoxyphenyl)propan-1-ol
148857-53-8

3-amino-1-(4-methoxyphenyl)propan-1-ol

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(3-hydroxy-3-(4-methoxyphenyl)propyl)-3-methylthiourea
1467719-99-8

1-(3-hydroxy-3-(4-methoxyphenyl)propyl)-3-methylthiourea

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 24h;100%
methyl thioisocyanate
556-61-6

methyl thioisocyanate

benzylamine
100-46-9

benzylamine

1-methyl-3-benzyl thiourea
2740-94-5

1-methyl-3-benzyl thiourea

Conditions
ConditionsYield
at 20℃;99%
With ethanol
In methanol for 20h;
In dichloromethane for 2h; Ambient temperature;
isoniazid
54-85-3

isoniazid

methyl thioisocyanate
556-61-6

methyl thioisocyanate

4-methyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide
4406-96-6

4-methyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide

Conditions
ConditionsYield
In ethanol at 90℃; for 4h;99%
In ethanol for 0.416667h; Heating;95%
In isopropyl alcohol for 3h; Heating;93%
2-Amino-3-methoxy-17-oxoestra-1,3,5(10)-triene
13010-22-5

2-Amino-3-methoxy-17-oxoestra-1,3,5(10)-triene

methyl thioisocyanate
556-61-6

methyl thioisocyanate

N-Methyl-N'-(3-methoxy-17-oxoestra-1,3,5(10)-triene-2-yl)thiourea
96354-35-7

N-Methyl-N'-(3-methoxy-17-oxoestra-1,3,5(10)-triene-2-yl)thiourea

Conditions
ConditionsYield
In ethanol for 1.16667h; Heating;99%
Cyclohex-2-enol
822-67-3

Cyclohex-2-enol

methyl thioisocyanate
556-61-6

methyl thioisocyanate

(+/-)-methylthiocarbamic acid O-(cyclohex-2-enyl) ester
188400-02-4

(+/-)-methylthiocarbamic acid O-(cyclohex-2-enyl) ester

Conditions
ConditionsYield
Stage #1: Cyclohex-2-enol With sodium hydride In tetrahydrofuran at 0℃; for 1h;
Stage #2: methyl thioisocyanate In tetrahydrofuran at 0℃; for 1h; Further stages.;
99%
With sodium hydride In tetrahydrofuran at 0℃; for 1h;71%
With sodium hydride Yield given; Multistep reaction;
Stage #1: Cyclohex-2-enol With sodium hydride In tetrahydrofuran at 0℃; for 1h; Metallation;
Stage #2: methyl thioisocyanate In tetrahydrofuran at 0℃; for 1h; Addition;
5-amino-5-deoxy-1,2-O-isopropylidene-a-D-xylofuranose
4613-58-5, 25531-86-6, 25572-88-7

5-amino-5-deoxy-1,2-O-isopropylidene-a-D-xylofuranose

methyl thioisocyanate
556-61-6

methyl thioisocyanate

5-deoxy-1,2-O-isopropylidene-5-(N'-methylthioureido)-α-D-xylofuranose

5-deoxy-1,2-O-isopropylidene-5-(N'-methylthioureido)-α-D-xylofuranose

Conditions
ConditionsYield
With pyridine at 20℃; for 2.5h; Addition;99%
cis-4-[[3,5-bis(trifluoromethyl)benzyl]oxy]-3-phenylpiperidine hydrochloride

cis-4-[[3,5-bis(trifluoromethyl)benzyl]oxy]-3-phenylpiperidine hydrochloride

methyl thioisocyanate
556-61-6

methyl thioisocyanate

cis-4-[[3,5-bis(trifluoromethyl)benzyl]oxy]-N-methyl-3-phenyl-1-piperidinecarbothioamide

cis-4-[[3,5-bis(trifluoromethyl)benzyl]oxy]-N-methyl-3-phenyl-1-piperidinecarbothioamide

Conditions
ConditionsYield
With triethylamine In acetonitrile at 20℃; for 14h;99%
4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazole 3-oxide
863485-14-7

4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazole 3-oxide

methyl thioisocyanate
556-61-6

methyl thioisocyanate

[4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazol-2-yl]methylamine
863485-15-8

[4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazol-2-yl]methylamine

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 48h;99%
4-(1,1-dimethylethyl)-benzenemethanamine
39895-55-1

4-(1,1-dimethylethyl)-benzenemethanamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(4-tert-butyl-benzyl)-3-methylthiourea
134232-39-6

1-(4-tert-butyl-benzyl)-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
In acetonitrile72%
[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridin-3-yl]-methanone
1202067-94-4

[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridin-3-yl]-methanone

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-{(3S,4S)-1-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridine-3-carbonyl]-4-hydroxypyrrolidin-3-yl}-3-(methyl)thiourea
1202067-95-5

1-{(3S,4S)-1-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridine-3-carbonyl]-4-hydroxypyrrolidin-3-yl}-3-(methyl)thiourea

Conditions
ConditionsYield
In tetrahydrofuran for 18h;99%
2,4-Difluoro-benzylamine
72235-52-0

2,4-Difluoro-benzylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(2,4-difluorobenzyl)-3-methylthiourea
1400799-52-1

1-(2,4-difluorobenzyl)-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
3-methyl-benzenemethanamine
100-81-2

3-methyl-benzenemethanamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(3-methylbenzyl)-3-methylthiourea
92188-06-2

1-(3-methylbenzyl)-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
ortho-methylbenzylamine
89-93-0

ortho-methylbenzylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(2-methylbenzyl)-3-methylthiourea
3911-45-3

1-(2-methylbenzyl)-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
(S)-1-(4-methoxyphenyl)ethylamine
6298-96-0, 22038-86-4, 35600-82-9, 41851-59-6

(S)-1-(4-methoxyphenyl)ethylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

S-(-)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea
1400799-59-8

S-(-)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
(R)-1-(4-methoxyphenyl)ethylamine
6298-96-0, 22038-86-4, 35600-82-9, 41851-59-6

(R)-1-(4-methoxyphenyl)ethylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

R-(+)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea
1400799-60-1

R-(+)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
6-fluoro-4-methoxyquinoline-2-carbohydrazide
1444309-93-6

6-fluoro-4-methoxyquinoline-2-carbohydrazide

methyl thioisocyanate
556-61-6

methyl thioisocyanate

6-fluoro-4-methoxy-N′-(methylthiocarbamoyl)quinoline-2-carbohydrazide
1444309-95-8

6-fluoro-4-methoxy-N′-(methylthiocarbamoyl)quinoline-2-carbohydrazide

Conditions
ConditionsYield
In 1,4-dioxane for 1h; Reflux;99%

556-61-6Relevant articles and documents

Molecular structure, vibrational spectra and photochemistry of 5-mercapto-1-methyltetrazole

Gomez-Zavaglia, A.,Reva, I. D.,Frija, L.,Cristiano, M. L.,Fausto, R.

, p. 182 - 192 (2006)

In this work, 5-mercapto-1-methyltetrazole was studied by low temperature matrix-isolation and solid-state infrared spectroscopy, DFT(B3LYP)/6-311++G(d,p) calculations and photochemical methods. In the low temperature neat solid phase and isolated in an argon matrix, the compound was found to exist in the 1-methyl-1,4-dihydro-5H-tetrazole-5-thione tautomeric form. The infrared spectra of the compound were fully assigned and correlated with structural properties. In situ UV-irradiation (λ > 235 nm) of the matrix-isolated monomer is shown to induce different photochemical processes, all of them involving cleavage of the tetrazole ring: e. g. (1) molecular nitrogen expulsion, with production of 1-methyl-1H-diazirene-3-thiol, which is produced in two different conformers; (2) ring cleavage leading to production of methyl isothiocyanate and azide; (3) simultaneous elimination of nitrogen and sulfur with production of N-methylcarbodiimide. Following these photoprocesses, subsequent reactions occur, leading to production of methyl diazene, carbon monosulphide and nitrogen hydride. Spectroscopic evidence of the production of the above-mentioned chemical species is provided.

Double three bromo 1,3-di-pyridine salt-based propane and its preparation method, method of use, recovery method and application

-

Paragraph 0075; 0076; 0185; 0186, (2016/10/07)

The invention discloses a double tribromo 1,3-bipyridine onium salt dimethylmethane, and a preparation method, an application method, a recovery method and application thereof. The preparation method comprises the following steps: dissolving 1,3-bipyridine onium salt dimethylmethane by using water, and then adding potassium bromide; adding potassium peroxymonosulfate sulfate compound brine solution to prepare a clear solution after dissolving potassium bromide, and then stirring and reacting at -10 to 0 DEG C until solid is separated out; separating out solid, so as to obtain the double tribromo 1,3-bipyridine onium salt dimethylmethane. The product can be used for preparing isothiocyanate, aromatic thiourea or acetanilide. The preparation method disclosed by the invention is mild in condition, and simple to operate the reaction process, and raw materials are easily available. The double tribromo 1,3-bipyridine onium salt dimethylmethane not only can be used as a brominating reagent, but also can be used as organic synthesis intermediates, meanwhile, the reaction efficiency is improved, and the double tribromo 1,3-bipyridine onium salt dimethylmethane is convenient to recover and can be recycled.

2-amino-1,3-thiazoles suppressed lipopolysaccharide-induced il-β and TNF-α

Nam, Kee Dal,Han, Minsoo,Yoon, Jun,Kim, Eun-A,Cho, Sung-Woo,Hahn, Hoh-Gyu

, p. 271 - 274 (2013/08/24)

-

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