3-Amino-3-thioxopropanamide

Base Information

• Chemical Name: 3-Amino-3-thioxopropanamide
• CAS No.: 72410-06-1
• Molecular Formula: C3H6 N2 O S
• Molecular Weight: 118.159
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80365881
• Nikkaji Number: J1.846.765H
• Wikidata: Q82150890
• Mol file: 72410-06-1.mol

Synonyms:3-amino-3-thioxopropanamide;72410-06-1;2-Thiocarbamoyl-acetamide;2-carbamothioylacetamide;3-amino-3-sulfanylidenepropanamide;MFCD01089792;thiocarbamoylacetamide;SCHEMBL2791142;DTXSID80365881;STL346644;AKOS000267856;BS-24654;EN300-14897;F20869;F1901-0107

Chemical Property of 3-Amino-3-thioxopropanamide

Chemical Property:

• Vapor Pressure: 2.45E-05mmHg at 25°C
• Boiling Point: 359°C at 760 mmHg
• Flash Point: 170.9°C
• PSA: 106.73000
• Density: 1.35g/cm³
• LogP: 1.01830
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.02008399
• Heavy Atom Count: 7
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-3-thioxopropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)N)C(=S)N

Technology Process of 3-Amino-3-thioxopropanamide

There total 4 articles about 3-Amino-3-thioxopropanamide 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: 67.0%

cyanoacetic acid amide (107-91-5) → 2-thiocarbamoylacetamide (72410-06-1)

Guidance literature:

With pyridine; hydrogen sulfide; triethylamine; at 40 - 50 ℃; for 6h;

DOI:10.1007/s10593-013-1266-5

Reference yield:

malononitrile (109-77-3) → 2-thiocarbamoylacetamide (72410-06-1)

Guidance literature:

With ethanol; hydrogen sulfide;

Reference yield:

hydrogen sulfide (7783-06-4) + cyanoacetic acid amide (107-91-5) → 2-thiocarbamoylacetamide (72410-06-1)

Guidance literature:

at 100 ℃;

upstream raw materials:

malononitrile

cyanoacetic acid amide

ethanol

hydrogen sulfide

Downstream raw materials:

2-(4-methyl-thiazol-2-yl)-acetamide

6-Thioxo-1,6-dihydro-pyrimidine-5-carboxylic acid amide

4-(4-Chloro-phenyl)-6-hydroxy-2-oxo-6-phenyl-piperidine-3-carbothioic acid amide

2-Thiocarbamoyl-2-(p-tolyl-hydrazono)-acetamide