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| CAS No.: | 74-93-1 |
|---|---|
| Name: | Methanethiol |
| Molecular Structure: | |
|
|
|
| Formula: | CH4S |
| Molecular Weight: | 48.1088 |
| Synonyms: | Mercaptomethane;Thiomethanol;Methanethiol;Methyl sulfhydrate;Thiomethyl alcohol;Mercaptan methylique; |
| EINECS: | 200-822-1 |
| Density: | 0.814 g/cm3 |
| Melting Point: | -123 °C(lit.) |
| Boiling Point: | 6 °C(lit.) |
| Flash Point: | < 71 °C |
| Appearance: | colourless gas with a garlic-like or rotten cabbage-like smell |
| Hazard Symbols: |
 F+, T, N
|
| Risk Codes: | 12-23-50/53 |
| Safety: | 16-25-60-61 |
| Transport Information: | UN 2037 2.3 |
| PSA: | 38.80000 |
| LogP: | 0.54600 |
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
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- 90221-55-92-bromo-5-methylbenzaldehyde
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 39076-43-2
S-methyl N-ethylthiocarbamate
- 74-89-5
methylamine
A
- 74-93-1
methylthiol
B
- 28145-10-0
1-ethyl-3-methylurea
| Conditions | Yield |
|---|---|
| In water at 50 - 55℃; for 1h; | A n/a B 100% |
- 75-04-7
ethylamine
- 39076-43-2
S-methyl N-ethylthiocarbamate
A
- 74-93-1
methylthiol
B
- 623-76-7
N,N'-diethylurea
| Conditions | Yield |
|---|---|
| In water at 40℃; for 8h; | A n/a B 100% |
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
- 100-51-6
benzyl alcohol
A
- 74-93-1
methylthiol
B
- 50909-46-1
benzyloxycarbonylcyanamide potassium salt
| Conditions | Yield |
|---|---|
| With potassium hydroxide 1.) 80-90 deg C, 48 h; 2.) 25-30 deg C 24 h; | A n/a B 99% |
| Conditions | Yield |
|---|---|
| With hydrogen sulfide at 260 - 800℃; under 6000.6 Torr; for 0.216667h; Temperature; Pressure; Inert atmosphere; Calcination; | 98.4% |
| With hydrosulfide anion In gas Rate constant; Thermodynamic data; reaction efficiency, ΔH0Rx; | |
| With sodium hydrogensulfide; water unter Druck; |
- 98773-05-8, 115958-66-2
trichlorogallium * ethanethiol
- 3908-55-2
Trimethyl(methylthio)silane
A
- 75-77-4
chloro-trimethyl-silane
D
- 74-93-1
methylthiol
E
- 75-08-1
ethanethiol
| Conditions | Yield |
|---|---|
| In benzene 4.62 mmol Me3SiSMe added to 4.62 mmol of the Ga compound in benzene; stirring at room temp.; filtration; solvent removed in vac.; elem. anal. (Cl2GaSC2H5); | A n/a B 98% C n/a D n/a E n/a |
- 98773-05-8, 115958-66-2
trichlorogallium * ethanethiol
- 35029-96-0
lead bis(methylthiolate)
C
- 74-93-1
methylthiol
D
- 75-08-1
ethanethiol
| Conditions | Yield |
|---|---|
| In benzene 2.10 mmol Pb(SCH3)2 added to 4.20 mmol of the Ga compound in benzene; stirring at room temp.; filtration; solvent removed in vac.; residue washed with n-pentane and dried in vac.; elem. anal. (Cl2GaSC2H5); | A 98% B n/a C n/a D n/a E n/a |
- 5863-81-0, 112528-10-6, 112528-11-7
methyl N-benzyl-N′-cyanocarbamimidothioate
A
- 74-93-1
methylthiol
B
- 21505-06-6
N3-benzyl-1H-1,2,4-triazole-3,5-diamine
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol Heating; | A n/a B 97% |
- 166829-91-0
1-cyan-3-(3'-amino-3',5'-dideoxythymidin-5'-yl)-2-methylisothiourea
A
- 74-93-1
methylthiol
| Conditions | Yield |
|---|---|
| With silver nitrate In N,N-dimethyl-formamide for 18h; Ambient temperature; protected from light; | A n/a B 96% |
| Conditions | Yield |
|---|---|
| With ammonia In water at 65℃; | A n/a B 96% |
- 32885-06-6
S-methyl-N''-cyano-N'-(1-cycloethoxyethyl)carbamimidothioate
A
- 51420-46-3
5-amino-3-morpholino-1H-1,2,4-triazole
B
- 74-93-1
methylthiol
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol Heating; | A 95% B n/a |
- 91-17-8Naphthalene, decahydro-
- 9057-02-7Pullulan
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- 3704-09-4Estr-4-en-3-one,17-hydroxy-7,17-dimethyl-, (7a,17b)-
- 9002-72-6Somatotropin
- 92309-29-0Imipenem-Cilastatin sodium hydrate
- 3598-37-6Acepromazine maleate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:20 Page 1 of 1 1
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Consensus Reports
Standards and Recommendations
DFG MAK: 0.5 ppm (1 mg/m3)
NIOSH REL: (n-Alkane Monothiols) CL 0.5 ppm/15M
DOT Classification: 2.3; Label: Poison Gas, Flammable Gas
Analytical Methods
Specification
The Methyl mercaptan, with the CAS registry number 74-93-1, is also known as Thiomethanol. It belongs to the product category of API intermediates. Its EINECS number is 200-822-1. This chemical's molecular formula is CH4S and molecular weight is 48.11. What's more, its systematic name is methanethiol. Its classification codes are: (1)Mutation data; (2)TSCA Flag T [Subject to the Section 4 test rule under TSCA]. It is an intermediate in the manufacturing of jet fuels, pesticides, fungicides, plastics, synthesis of methionine. Moreover, its odor may cause nausea. It is also used in the production of intermediates of methane sulfonyl chloride and methylthio propanol. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides and fire.
Physical properties of Methyl mercaptan are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.06; (6)ACD/BCF (pH 7.4): 2.06; (7)ACD/KOC (pH 5.5): 58.46; (8)ACD/KOC (pH 7.4): 58.42; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 14.57 cm3; (15)Molar Volume: 59 cm3; (16)Polarizability: 5.77×10-24cm3; (17)Surface Tension: 19.2 dyne/cm; (18)Density: 0.814 g/cm3; (19)Enthalpy of Vaporization: 23.79 kJ/mol.
Preparation: this chemical can be prepared by 1-Aza-3-thia-1-cyan-2-piperidino-1-buten by heating. This reaction will need reagent 72% N2H4·H2O and solvent ethanol. The yield is about 93%.
Uses of Methyl mercaptan: it can be used to produce 2-chloro-3-methylsulfanyl-propionic acid methyl ester at the ambient temperature. It will need reagent NaSCH3 and solvent CH2Cl2 with the reaction time of 4 hours. The yield is about 87%.
When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable, so you should keep it away from sources of ignition - No smoking. It is toxic by inhalation and is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. When using it, you must avoid contact with eyes. This material and its container must be disposed of as hazardous waste. You must avoid releasing it to the environment just refering to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: SC
(2)Std. InChI: InChI=1S/CH4S/c1-2/h2H,1H3
(3)Std. InChIKey: LSDPWZHWYPCBBB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 60670ug/kg (60.67mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 16(6), Pg. 46, 1972. | |
| mouse | LC50 | inhalation | 6530ug/m3/2H (6.53mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 16(6), Pg. 46, 1972. | |
| rat | LC50 | inhalation | 675ppm (675ppm) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Personal Communication from H.B. Lackey, Chemical Products Div., Crown Zellerbach, Camas, WA 98607, June 9, 1978Vol. 09JUN1978. |