Thioacetamide

Base Information

• Chemical Name: Thioacetamide
• CAS No.: 62-55-5
• Deprecated CAS: 1482-80-0
• Molecular Formula: C2H5NS
• Molecular Weight: 75.1344
• Hs Code.: 2930.90
• European Community (EC) Number: 200-541-4
• ICSC Number: 0579
• NSC Number: 2120
• UN Number: 3077
• UNII: 075T165X8M
• DSSTox Substance ID: DTXSID9021340
• Nikkaji Number: J2.350G
• Wikipedia: Thioacetamide
• Wikidata: Q416253
• NCI Thesaurus Code: C44454
• Metabolomics Workbench ID: 54592
• ChEMBL ID: CHEMBL38737
• Mol file: 62-55-5.mol

Synonyms:Thiacetamid;Thioacetamid;Thioacetamide

Chemical Property of Thioacetamide

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 22.5mmHg at 25°C
• Melting Point: 108-112 °C(lit.)
• Refractive Index: 1.543
• Boiling Point: 111.7 °C at 760 mmHg
• PKA: 13.25±0.29(Predicted)
• Flash Point: 21.4 °C
• PSA: 58.11000
• Density: 1.07 g/cm³
• LogP: 0.99270
• Storage Temp.: Store at RT.
• Solubility.: passes test2%
• Water Solubility.: 16.3 g/100 mL (25 ºC)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 75.01427034
• Heavy Atom Count: 4
• Complexity: 33

Purity/Quality:

99% ^*data from raw suppliers

Thioacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-22-36/38-52/53
• Safety Statements: 53-45-61-99

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CC(=S)N
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
• Effects of Long Term Exposure: The substance may have effects on the liver. This may result in tissue lesions. This substance is possibly carcinogenic to humans.
• Uses: 1. It can be used for the production of catalysts, stabilizers, polymerization inhibitors, electroplating additives, photographic chemicals, pesticides, dyeing auxiliary and processing agents. It can be also used as polymer curing agents, crosslinking agents, rubber additives and pharmaceutical raw materials. 2. It can be also used as vulcanizing agent and crosslinking agent of polymer, rubber additives, pharmaceutical raw materials, etc. 3. It can be also used as analytical reagents. It is used as an intermediate in organicsynthesis. Sulfide generation Substitute for H2S in laboratory qualitative analyses. Thioacetamide is a carcinogen, a hepatotoxicant. Thioacetamide induces acute chronic liver injury through the activation of protein synthesis of RNA, DNA, and gamma-glutamyl transpeptitase. Thioacetamide has been used in the synthesis of [email?protected] nano-array core-shell structure.
• Production method: Thioacetamide can be obtained by the reaction of acetonitrile with hydrogen sulfide, or acetamide with phosphorus pentasulfide.
• Description: Thioacetamide (TAA) is not known to occur in nature. It is prepared by heating ammonium acetate and aluminum sulfide.

Technology Process of Thioacetamide

There total 38 articles about Thioacetamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

acetamide (60-35-5) → thioacetamide (62-55-5)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; at 20 ℃; for 3h; Solvent;

DOI:10.1016/j.bioorg.2019.102941

Reference yield: 90.0%

acetonitrile (75-05-8,26809-02-9) → thioacetamide (62-55-5)

Guidance literature:

With aluminum oxide; diethyl dithiophosphate ammonium salt; for 6h; Heating;

DOI:10.1080/00304940609356003

Reference yield: 53.3%

ethylene glycol (107-21-1) + 2,4-(4-phenoxyphenyl)-1,3-dithia-2λ(5),4λ(5)-diphosphetane 2,4-disulfides (92825-37-1,88816-02-8) → thioacetamide (62-55-5) + 2-(4-Phenoxy-phenyl)-[1,3,2]dioxaphospholane 2-sulfide

Guidance literature:

In acetonitrile; for 4h; Ambient temperature;

DOI:10.1016/S0040-4020(01)85817-8

upstream raw materials:

acetamide

O-Ethyl thioacetate

ammonium acetate

acetonitrile

Downstream raw materials:

acetonitrile

2-methyl-4,5-dihydro-thiazole

2-methylthiazole

2-methyl-4,5,6,7-tetrahydro-benzothiazole

Refernces

• 1、 Mahata, Alok,Bhaumick, Prabhas,Panday, Anoop Kumar,Yadav, Rahul,Parvin, Tasneem,Choudhury, Lokman H.. "Multicomponent synthesis of diphenyl-1,3-thiazole-barbituric acid hybrids and their fluorescence property studies". . p. 4798 - 4811. Retrieved 2020/04/03.
• 2、 Karale, Uttam B.,Krishna, Vagolu Siva,Krishna, E. Vamshi,Choudhari, Amit S.,Shukla, Manjulika,Gaikwad, Vikas R.,Mahizhaveni,Chopra, Sidharth,Misra, Sunil,Sarkar, Dhiman,Sriram, Dharmarajan,Dusthackeer, V.N. Azger,Rode, Haridas B.. "Synthesis and biological evaluation of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug-resistant tuberculosis". . p. 315 - 328. Retrieved 2019/06/14.