Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester

Base Information

Chemical Name:Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester
CAS No.:77750-06-2
Molecular Formula:C14H11ClOS
Molecular Weight:262.76
Hs Code.:
DSSTox Substance ID:DTXSID90412138
Nikkaji Number:J624.012G
Wikidata:Q82219359

Synonyms:77750-06-2;Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester;DTXSID90412138

Suppliers and Price of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) 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, 4-chloro-, S-(4-methylphenyl) ester

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:262.0219138
Heavy Atom Count:17
Complexity:253

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)Cl

Technology Process of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester

There total 16 articles about Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) 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: 99.0%

: 103-19-5
di(p-tolyl) disulfide

: 456-21-3
4-chlorobenzoyl fluoride

: 77750-06-2
S-(4-methylphenyl) thio(4-chlorobenzoate)

Guidance literature:: With hydridotetakis(triphenylphosphine)rhodium(I); triphenylphosphine; 1,2-bis-(diphenylphosphino)ethane; In tetrahydrofuran; for 2h; Inert atmosphere; Reflux;
DOI:10.1016/j.tetlet.2010.09.009

Reference yield: 97.0%

: 637-87-6
1-Chloro-4-iodobenzene

: 106871-53-8
2-(p-tolylthio)-2-oxoacetic acid

: 77750-06-2
S-(4-methylphenyl) thio(4-chlorobenzoate)

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl acetamide; at 25 ℃; for 8h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.9b03701