2-Amino-3,6-dichlorobenzenethiol

Base Information

• Chemical Name: 2-Amino-3,6-dichlorobenzenethiol
• CAS No.: 126764-58-7
• Molecular Formula: C6H5Cl2NS
• Molecular Weight: 194.084
• DSSTox Substance ID: DTXSID20565469
• Nikkaji Number: J3.450.143B
• Wikidata: Q82450583
• Mol file: 126764-58-7.mol

Synonyms:2-amino-3,6-dichlorobenzenethiol;126764-58-7;Benzenethiol, 2-amino-3,6-dichloro-;2-Amino-3,6-dichlorobenzene-1-thiol;DTXSID20565469;AKOS014385555

Chemical Property of 2-Amino-3,6-dichlorobenzenethiol

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 192.9519757
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Amino-3,6-dichlorobenzenethiol

There total 1 articles about 2-Amino-3,6-dichlorobenzenethiol 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:

(2,5-dichlorophenyl)thiourea (4949-85-3) → 3,6-dichloro-2-aminobenzenethiol (126764-58-7)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine; chloroform

2: Alkaline conditions

With chloroform; bromine;

DOI:10.1007/s11164-014-1727-1

Reference yield: 71.62%

3,6-dichloro-2-aminobenzenethiol (126764-58-7) + (Z)-1-(2,4-Dimethoxy-phenyl)-3-hydroxy-but-2-en-1-one (126308-19-8) → (5,8-Dichloro-3-methyl-4H-benzo[1,4]thiazin-2-yl)-(2,4-dimethoxy-phenyl)-methanone

Guidance literature:

In dimethyl sulfoxide; for 0.5h; Heating;

Reference yield: 70.65%

3,6-dichloro-2-aminobenzenethiol (126764-58-7) → (4-Chloro-phenyl)-(5,8-dichloro-3-methyl-4H-benzo[1,4]thiazin-2-yl)-methanone

Guidance literature:

In dimethyl sulfoxide; for 0.5h; Heating;

upstream raw materials:

(2,5-dichlorophenyl)thiourea

Downstream raw materials:

4,7-Dichloro-2-chloromethyl-benzothiazole

2-amino-4'-bromo-3,6-dichloro-2'-nitrodiphenyl sulphide

2-amino-3,6-dichloro-2'-nitrodiphenyl sulphide

2-amino-3,6-dichloro-2'-(3'-nitro-5'-trifluoromethyl)diphenylsulfide