N-(2-amino-2-thioxoethyl)benzamide

Base Information

• Chemical Name: N-(2-amino-2-thioxoethyl)benzamide
• CAS No.: 55443-42-0
• Molecular Formula: C9H10N2OS
• Molecular Weight: 194.257
• Hs Code.: 2930909090
• NSC Number: 84257
• DSSTox Substance ID: DTXSID40393084
• Mol file: 55443-42-0.mol

Synonyms:N-(2-amino-2-thioxoethyl)benzamide;55443-42-0;N-(2-amino-2-sulfanylideneethyl)benzamide;N-(carbamothioylmethyl)benzamide;NSC84257;SCHEMBL6976594;DTXSID40393084;JGQSPWXCUZDDHM-UHFFFAOYSA-N;NSC-84257;AKOS001258524;CS-0294997;EN300-25525;F14578;Z211300040

Chemical Property of N-(2-amino-2-thioxoethyl)benzamide

Chemical Property:

• PSA: 87.21000
• Density: 1.253g/cm³
• LogP: 1.79370
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 194.05138412
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

N-(carbamothioylmethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCC(=S)N

Technology Process of N-(2-amino-2-thioxoethyl)benzamide

There total 5 articles about N-(2-amino-2-thioxoethyl)benzamide 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: 83.0%

2-benzamido-ethanenitrile (5692-27-3) → N-(2-amino-2-thioxoethyl)benzamide (55443-42-0)

Guidance literature:

With ammonium hydroxide; hydrogen sulfide; In ethanol; for 4h;

DOI:10.1021/jo951023c

Reference yield:

benzoyl chloride (98-88-4) → N-(2-amino-2-thioxoethyl)benzamide (55443-42-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / pyridine / Ambient temperature

2: 83 percent / H₂S, NH₄OH / ethanol / 4 h

With pyridine; ammonium hydroxide; hydrogen sulfide; In ethanol;

DOI:10.1021/jo951023c

Reference yield:

benzoyl chloride (98-88-4) → N-(2-amino-2-thioxoethyl)benzamide (55443-42-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous sodium carbonate-solution

2: methanol; ammonia; hydrogen sulfide

With methanol; hydrogen sulfide; ammonia; sodium carbonate;

DOI:10.1039/jr9470001372

upstream raw materials:

2-benzamido-ethanenitrile

hydrogen sulfide

benzoyl chloride

Downstream raw materials:

methyl 2-(benzamidomethyl)thiazole-4-carboxylate

N-[2,3-dimethyl-6-(4-nitro-phenyl)-pyrrolo[2,1-b]thiazol-7-yl]-benzamide

N-[6-(4-methoxy-phenyl)-2,3-dimethyl-pyrrolo[2,1-b]thiazol-7-yl]-benzamide

N-(2,3-dimethyl-6-phenyl-pyrrolo[2,1-b]thiazol-7-yl)-benzamide