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115-08-2

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115-08-2 Usage

Purification Methods

Crystallise thioformamide from EtOAc, Et2O or ether/pet ether. The monohydrate is a yellow oil soluble in many organic solvents. UV: 263nm ( 2500) in MeOH. [Erlenmyer & Menzi Helv Chim Acta 31 2071 1948.] Alternatively dissolve it in Et2O to separate it from any formanide and/or polymers, filter, evaporate and recrystallise the residue from EtOAc at Dry-Ice temperature [Londergan et al. J Am Chem Soc 75 4456 1953]. Store it in Et2O solution over P2O5. [Cousineau & Secrist J Org Chem 44 4351 1979, Beilstein 2 H 95, 2 I 39, 2 III 128, 2 IV 92.]

Check Digit Verification of cas no

The CAS Registry Mumber 115-08-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 5 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 115-08:
(5*1)+(4*1)+(3*5)+(2*0)+(1*8)=32
32 % 10 = 2
So 115-08-2 is a valid CAS Registry Number.
InChI:InChI=1/CH3NS/c2-1-3/h1H,(H2,2,3)

115-08-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Thioformamide

1.2 Other means of identification

Product number -
Other names THIOFORMAMIDE

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:115-08-2 SDS

115-08-2Synthetic route

Conditions
ConditionsYield
With tetraphosphorus decasulfide In diethyl ether at 0 - 20℃; for 3h;86%
With carbon disulfide; sodium methylate at 140 - 160℃; under 22502.3 - 37503.8 Torr; Inert atmosphere; Autoclave;85%
With diphosphorus pentasulfide In diethyl ether at 20℃; for 2h;80%
carbon disulfide
75-15-0

carbon disulfide

thiocarboxamide
115-08-2

thiocarboxamide

Conditions
ConditionsYield
With carbon monoxide; nitrogen at 180 - 200℃; under 30003 Torr;75%
hydrogen cyanide
74-90-8

hydrogen cyanide

thiocarboxamide
115-08-2

thiocarboxamide

Conditions
ConditionsYield
With hydrogenchloride; thiophosphate sodium salt hydrate In water; water-d2 at 50℃; for 24h; pH=6.5; Sealed tube;51%
dithioformic acid
4472-10-0

dithioformic acid

thiocarboxamide
115-08-2

thiocarboxamide

Conditions
ConditionsYield
With diethyl ether; ammonia
With diethyl ether; ammonia
sodium cyanide
143-33-9

sodium cyanide

thiocarboxamide
115-08-2

thiocarboxamide

Conditions
ConditionsYield
With sodium sulfide; sulfuric acid; ammonia In methanol at 20℃; for 22h; Substitution; Addition;
phosphorus pentasulfide

phosphorus pentasulfide

thiocarboxamide
115-08-2

thiocarboxamide

thiocarboxamide
115-08-2

thiocarboxamide

3-chloro-4-oxobutyl acetate
213844-38-3

3-chloro-4-oxobutyl acetate

acetic acid 2-thiazol-5-ylethyl ester
866561-41-3

acetic acid 2-thiazol-5-ylethyl ester

Conditions
ConditionsYield
at 110 - 120℃; for 0.5h;100%
thiocarboxamide
115-08-2

thiocarboxamide

α-bromoacetophenone
70-11-1

α-bromoacetophenone

2-Amino-4-phenylthiazole
2010-06-2

2-Amino-4-phenylthiazole

Conditions
ConditionsYield
In isopropyl alcohol at 25℃; for 3h;99.3%
thiocarboxamide
115-08-2

thiocarboxamide

methyl 7-<3-<4-(2-chloro-1-oxoethyl)-3-methoxy-2-propylphenoxy>propoxy>-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate
138828-25-8

methyl 7-<3-<4-(2-chloro-1-oxoethyl)-3-methoxy-2-propylphenoxy>propoxy>-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate

methyl 3,4-dihydro-7-<3-<3-methoxy-2-propyl-4-(thiazol-4-yl)phenoxy>propoxy>-8-propyl-2H-1-benzopyran-2-carboxylate
138828-30-5

methyl 3,4-dihydro-7-<3-<3-methoxy-2-propyl-4-(thiazol-4-yl)phenoxy>propoxy>-8-propyl-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
With magnesium carbonate In 1,4-dioxane for 2h; Heating;99%
thiocarboxamide
115-08-2

thiocarboxamide

2-bromo-1-(4-bromophenyl)propan-1-one
38786-67-3

2-bromo-1-(4-bromophenyl)propan-1-one

4-(4-bromo-phenyl)-5-methyl-thiazole
252561-64-1

4-(4-bromo-phenyl)-5-methyl-thiazole

Conditions
ConditionsYield
In 1,4-dioxane Heating;95%
2-bromo-1-[4-isopropyl-2-methoxy-5-(toluene-4-sulfonyl)-phenyl]-ethanone
865305-68-6

2-bromo-1-[4-isopropyl-2-methoxy-5-(toluene-4-sulfonyl)-phenyl]-ethanone

thiocarboxamide
115-08-2

thiocarboxamide

4-[4-Isopropyl-2-methoxy-5-(toluene-4-sulfonyl)-phenyl]-thiazole
865305-69-7

4-[4-Isopropyl-2-methoxy-5-(toluene-4-sulfonyl)-phenyl]-thiazole

Conditions
ConditionsYield
With sodium carbonate In 1,4-dioxane for 3h; Heating / reflux;95%

115-08-2Related news

Water-assisted proton transfer in formamide, THIOFORMAMIDE (cas 115-08-2) and selenoformamide08/23/2019

The tautomeric equilibria of formamide, thioformamide and selenoformamide were studied in the gas phase and in water solution using ab initio quantum chemical calculations. The solvent effects were considered by explicit inclusion of three water molecules, which model a first hydration shell aro...detailed

115-08-2Relevant articles and documents

-

Londergan et al.

, p. 4456 (1953)

-

Characterization of the Simplest Thiolimine: The Higher Energy Tautomer of Thioformamide

Bernhardt, Bastian,Dressler, Friedemann,Eckhardt, André K.,Becker, Jonathan,Schreiner, Peter R.

, p. 6732 - 6739 (2021)

As sulfur-containing organic molecules thioamides and their isomers are conceivable intermediates in prebiotic chemistry, for example, in the formation of amino acids and thiazoles and resemble viable candidates for detection in interstellar media. Here, we report the characterization of parent thioformamide in the solid state via single-crystal X-ray diffraction and its photochemical interconversion to its hitherto unreported higher energy tautomer thiolimine in inert argon and dinitrogen matrices. Upon photogeneration, four conformers of thiolimine form, whose ratio depends on the employed wavelength. One of these conformers interconverts due to quantum mechanical tunneling with a half-life of 30–45 min in both matrix materials at 3 and 20 K. A spontaneous reverse reaction from thiolimine to thioformamide is not observed. To support our experimental findings, we explored the potential energy surface of the system at the AE-CCSD(T)/aug-cc-pCVTZ level of theory and computed tunneling half-lives with the CVT/SCT approach applying DFT methods.

A convenient preparation of thioformamide. Synthesis of thiazole-4-carboxylic acid

Rohaly,Novak,Szantay

, p. 693 - 694 (1999)

-

Synthesis of bis(ethylenedithio)dithiadiazafulvalenes (BEDT-DTDAF) and generation of charge-transfer complexes with tetracyanoquinodimethane

Makowiec, Slawomir,Koczan, Wioletta,Rachon, Janusz

, p. 696 - 698 (2008)

The synthesis of bis(ethylenedithio)dithiadiazafulvalenes (BEDT-DTDAFs), in four steps via 4,5-(ethylenedithio)thiazole and 3-alkyl-4,5-(ethylenedithio) thiazolium salts, and the generation of conducting charge-transfer complexes from a new type of dithiadiazafulvalene and tetracyanoquinodimethane are reported. Georg Thieme Verlag Stuttgart.

Thioformamide, and preparation method and application thereof

-

Paragraph 0020; 0028-0030, (2020/03/13)

The invention discloses a thioformamide, and a preparation method and an application thereof. Carbon disulfide and formamide which are used as raw materials are reacted under a pressure of 3-5 MPa under the catalytic action of an organic alkali to generate thioformamide, and the thioformamide is rectified and collected after the reaction is finished. The thioformamide prepared in the invention canbe used as an thiabendazole intermediate to synthesize thiabendazole which is applied to the fields of sterilization, corrosion prevention, fresh keeping and the like. The preparation method has theadvantages of simplicity, mild reaction conditions, safety, controllability, low production cost, high yield, no generation of wastewater or toxic gases, and reduction of environmental pollution.

Evaluation of thioamides, thiolactams and thioureas as hydrogen sulfide (H2S)donors for lowering blood pressure

Zaorska, Ewelina,Hutsch, Tomasz,Gawry?-Kopczyńska, Marta,Ostaszewski, Ryszard,Ufnal, Marcin,Koszelewski, Dominik

supporting information, (2019/04/29)

Hydrogen sulfide (H2S)is a biologically important gaseous molecule that exhibits promising protective effects against a variety of pathological processes. For example, it was recognized as a blood pressure lowering agent. Aligned with the need for easily modifiable platforms for the H2S supply, we report here the preparation and the H2S release kinetics from a series of structurally diversified thioamides, thiolactams and thioureas. Three different thionation methods based on the usage of a phosphorus pentasulfide and Lawesson reagent were applied to prepare the target thioamides and thiolactams. Furthermore, obtained H2S donors were evaluated both in in vivo and in vitro studies. The kinetic parameters of the liberating H2S was determined and compared with NaHS and GYY4137 using two different detection technics i.e.; fluorescence labeling 7-azido-4-methyl-2H-chromen-2-one and 5,5‘-dithiobis (2-nitrobenzoic acid), sulfhydryl probe, also known as the Ellman's reagent. We have proved that the amount of releasing H2S from these compounds is controllable through structural modifications. Finally, the present study shows a hypotensive response to an intravenous administration of the developed donors in the anesthetized rats.

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