Benzenecarbothioic acid, 4-methyl-, S-2-pyridinyl ester

Base Information

Chemical Name:Benzenecarbothioic acid, 4-methyl-, S-2-pyridinyl ester
CAS No.:74032-45-4
Molecular Formula:C13H11NOS
Molecular Weight:229.302
Hs Code.:
DSSTox Substance ID:DTXSID70445409
Nikkaji Number:J1.278.101F
Wikidata:Q82263792

Synonyms:74032-45-4;Benzenecarbothioic acid, 4-methyl-, S-2-pyridinyl ester;SCHEMBL3024916;DTXSID70445409;DNHOGUAGGLGVDN-UHFFFAOYSA-N;S-2-Pyridyl 4-methylbenzothioate;4-Methylthiobenzoic acid S-(2-pyridyl) ester

Suppliers and Price of Benzenecarbothioic acid, 4-methyl-, S-2-pyridinyl 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-methyl-, S-2-pyridinyl ester

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:229.05613515
Heavy Atom Count:16
Complexity:236

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)SC2=CC=CC=N2

Technology Process of Benzenecarbothioic acid, 4-methyl-, S-2-pyridinyl ester

There total 2 articles about Benzenecarbothioic acid, 4-methyl-, S-2-pyridinyl 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: 96.0%

: 2637-34-5,73018-10-7
2-Sulfanylpyridine

: 874-60-2
4-methyl-benzoyl chloride

: 74032-45-4
S-2-pyridyl 4-methylbenzothiolate

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 0.5h;
DOI:10.1021/jo048587d

Reference yield: 52.0%

: 2127-03-9
2,2'-dipyridyldisulphide

: 201230-82-2
carbon monoxide

: 624-31-7
4-tolyl iodide

: 74032-45-4
S-2-pyridyl 4-methylbenzothiolate

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; zinc; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acs.joc.1c02608