2-Amino-5-chlorobenzenecarbothioamide

Base Information

• Chemical Name: 2-Amino-5-chlorobenzenecarbothioamide
• CAS No.: 25465-36-5
• Molecular Formula: C7H7ClN2S
• Molecular Weight: 186.665
• DSSTox Substance ID: DTXSID50418717
• Mol file: 25465-36-5.mol

Synonyms:2-Amino-5-chlorobenzothioamide;25465-36-5;2-Amino-5-chlorobenzenecarbothioamide;SCHEMBL11828387;DTXSID50418717;CRWUYEFHHXSHGG-UHFFFAOYSA-N;AKOS011782611;2-Amino-5-chlorobenzenecarbothioamide #

Chemical Property of 2-Amino-5-chlorobenzenecarbothioamide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.0018471
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=S)N)N

Technology Process of 2-Amino-5-chlorobenzenecarbothioamide

There total 2 articles about 2-Amino-5-chlorobenzenecarbothioamide 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: 96.0%

2-amino-5-chlorobenzonitrile (5922-60-1) → 2-amino-5-chlorobenzothioamide (25465-36-5)

Guidance literature:

With sodium hydrogen sulfide monohydrate; magnesium chloride; In N,N-dimethyl-formamide; at 20 ℃; for 72h; Sealed tube;

DOI:10.1039/c4ob02207f

Reference yield:

→ 2-amino-5-chlorobenzothioamide (25465-36-5)

Guidance literature:

2-Amin-5-chlorbenzonitril, H2S;

Reference yield: 68.0%

2-amino-5-chlorobenzothioamide (25465-36-5) + benzaldehyde (100-52-7) → 6-chloro-2-phenyl-2,3-dihydroquinazoline-4(1H)-thione

Guidance literature:

In water; at 100 ℃; for 24h; Sealed tube;

DOI:10.1039/c4ob02207f

upstream raw materials:

2-amino-5-chlorobenzonitrile