3-Sulfanylbenzonitrile

Base Information

Chemical Name:3-Sulfanylbenzonitrile
CAS No.:54435-88-0
Molecular Formula:C₇H₅NS
Molecular Weight:135.189
Hs Code.:
European Community (EC) Number:870-799-6
DSSTox Substance ID:DTXSID70564149
Nikkaji Number:J1.962.398J
Wikidata:Q82448750

Synonyms:3-sulfanylbenzonitrile;54435-88-0;3-Mercaptobenzonitrile;3-Cyanobenzenethiol;3-cyanothiophenol;3-Mercapto-benzonitrile;SCHEMBL178623;DTXSID70564149;QXUOTIAFDYTLHW-UHFFFAOYSA-N;CS-0230144;EN300-102479

Suppliers and Price of 3-Sulfanylbenzonitrile

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
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-Sulfanylbenzonitrile

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:135.01427034
Heavy Atom Count:9
Complexity:135

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)S)C#N

Technology Process of 3-Sulfanylbenzonitrile

There total 8 articles about 3-Sulfanylbenzonitrile 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%

: 6952-59-6
3-cyanobromobenzene

: 54435-88-0
3-mercapto-benzonitrile

Guidance literature:: With copper(ll) sulfate pentahydrate; caesium carbonate; ethane-1,2-dithiol; In dimethyl sulfoxide; at 90 ℃; for 20h; Inert atmosphere;
DOI:10.1002/adsc.201400941

Reference yield: 95.0%

: 54435-88-0
3-mercapto-benzonitrile

Guidance literature:: With copper(ll) sulfate pentahydrate; caesium carbonate; ethane-1,2-dithiol; In dimethyl sulfoxide; at 110 ℃; for 20h; Inert atmosphere;