N-carbamothioyl-4-chlorobenzamide

Base Information

• Chemical Name: N-carbamothioyl-4-chlorobenzamide
• CAS No.: 38334-94-0
• Molecular Formula: C8H7ClN2OS
• Molecular Weight: 214.675
• DSSTox Substance ID: DTXSID10405067
• Nikkaji Number: J1.415.889H
• NSC Number: 69213
• Mol file: 38334-94-0.mol

Synonyms:N-carbamothioyl-4-chlorobenzamide;38334-94-0;NSC69213;p-Chlorbenzoylthioharnstoffe;NCIOpen2_003294;SCHEMBL23652565;DTXSID10405067;HMS1781P10;NSC-69213;AKOS034636949;CS-0293890;SR-01000066106;SR-01000066106-1;Z85924860

Chemical Property of N-carbamothioyl-4-chlorobenzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.427g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.9967617
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC(=S)N)Cl

Technology Process of N-carbamothioyl-4-chlorobenzamide

There total 5 articles about N-carbamothioyl-4-chlorobenzamide 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: 68.0%

1,3-benzoxazol-2-amine (4570-41-6) + p-chlorobenzoyl isothiocyanate (16794-67-5) → 2-Benzoxazolinone (59-49-4) + (4-chloro-benzoyl)-thiourea (38334-94-0) + 4-(4-Chloro-phenyl)-9-oxa-1,3,4a-triaza-fluorene-2-thione (128406-94-0)

Guidance literature:

In acetone; for 4h; Heating;

Reference yield: 25.0%

5-methylbenzo[d]oxazol-2-amine (64037-15-6) + p-chlorobenzoyl isothiocyanate (16794-67-5) → 5-methylbenzo[d]oxazol-2(3H)-one (22876-15-9) + (4-chloro-benzoyl)-thiourea (38334-94-0) + 4-(4-Chloro-phenyl)-6-methyl-9-oxa-1,3,4a-triaza-fluorene-2-thione (128406-97-3)

Guidance literature:

In acetone; for 4h; Heating;

Reference yield:

4-chloro-benzoyl chloride (122-01-0) + thiourea (17356-08-0) → (4-chloro-benzoyl)-thiourea (38334-94-0)

Guidance literature:

In toluene; at 100 ℃;

DOI:10.2174/1573406416999200818152440

upstream raw materials:

1,3-benzoxazol-2-amine

p-chlorobenzoyl isothiocyanate

5-methylbenzo[d]oxazol-2-amine

4-chloro-benzoyl chloride

Downstream raw materials:

2-(4-chloro-benzoylamino)-[1,3]thiazine-4,6-dione

[4-(4-bromo-phenyl)-2-(4-chloro-benzoylamino)-thiazol-5-yl]-acetic acid

C₁₃H₁₁ClN₂O₂S

ethyl (Z)-2-(2-(4-chlorobenzamido)thiazol-4-yl)pent-2-enoate