2-(2-Cyanoethylsulfanyl)benzoic acid

Base Information

Chemical Name:2-(2-Cyanoethylsulfanyl)benzoic acid
CAS No.:41907-41-9
Molecular Formula:C10H9NO2S
Molecular Weight:207.253
Hs Code.:
DSSTox Substance ID:DTXSID90485822
Wikidata:Q82325371
Mol file:41907-41-9.mol

Synonyms:41907-41-9;AGN-PC-0NIG0W;DTXSID90485822

Suppliers and Price of 2-(2-Cyanoethylsulfanyl)benzoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 2-(2-Cyanoethylsulfanyl)benzoic acid

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:207.03539970
Heavy Atom Count:14
Complexity:246

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)SCCC#N

Technology Process of 2-(2-Cyanoethylsulfanyl)benzoic acid

There total 4 articles about 2-(2-Cyanoethylsulfanyl)benzoic acid 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: 95.0%

: 2417-90-5
bromopropionitrile

: 147-93-3
Thiosalicylic acid

: 41907-41-9
o-(β-Cyanoethylthio)benzoesaeure

Guidance literature:: Thiosalicylic acid; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1h;

bromopropionitrile; In tetrahydrofuran; for 12h; Further stages.; Heating;
DOI:10.1021/ja010342k