Benzenecarbothioic acid, 3-chloro-, S-phenyl ester

Base Information

Chemical Name:Benzenecarbothioic acid, 3-chloro-, S-phenyl ester
CAS No.:97839-36-6
Molecular Formula:C13H9ClOS
Molecular Weight:248.733
Hs Code.:
DSSTox Substance ID:DTXSID20472927
Nikkaji Number:J575.604I

Synonyms:Benzenecarbothioic acid, 3-chloro-, S-phenyl ester;97839-36-6;DTXSID20472927

Suppliers and Price of Benzenecarbothioic acid, 3-chloro-, S-phenyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzenecarbothioic acid, 3-chloro-, S-phenyl ester

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:248.0062638
Heavy Atom Count:16
Complexity:238

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)Cl

Technology Process of Benzenecarbothioic acid, 3-chloro-, S-phenyl ester

There total 8 articles about Benzenecarbothioic acid, 3-chloro-, S-phenyl ester 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: 98.0%

: 108-98-5
thiophenol

: 535-80-8
3-chlorobenzoate

: 97839-36-6
3-Chlor-thiobenzoesaeure-S-phenylester

Guidance literature:: 3-chlorobenzoate; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 0.166667h;

thiophenol; In dichloromethane; at 0 - 20 ℃; for 5h;
DOI:10.1021/acs.orglett.9b00031

Reference yield: 90.0%

: 618-46-2
m-Chlorobenzoyl chloride

: 108-98-5
thiophenol

: 97839-36-6
3-Chlor-thiobenzoesaeure-S-phenylester

Guidance literature:: With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h; Inert atmosphere;
DOI:10.1021/acs.joc.1c01117

Reference yield: 85.0%

: 108-98-5
thiophenol

: 587-04-2
m-Chlorobenzaldehyde

: 97839-36-6
3-Chlor-thiobenzoesaeure-S-phenylester

Guidance literature:: With dipotassium peroxodisulfate; tetraethylammonium bromide; In 1,2-dichloro-ethane; at 90 ℃; for 40h; Inert atmosphere;
DOI:10.1002/adsc.201300584