2-Sulfanylbenzonitrile

Base Information

• Chemical Name: 2-Sulfanylbenzonitrile
• CAS No.: 112365-71-6
• Molecular Formula: C7H5NS
• European Community (EC) Number: 815-924-7
• DSSTox Substance ID: DTXSID50452010
• Nikkaji Number: J1.343.786F
• Wikidata: Q82272353
• Mol file: 112365-71-6.mol

Synonyms:2-sulfanylbenzonitrile;2-mercaptobenzonitrile;34761-11-0;2-mercapto-benzonitrile;112365-71-6;2-cyanobenzenethiol;cyanothiophenol;SCHEMBL100731;DTXSID50452010;AOYOBWSGCQMROU-UHFFFAOYSA-N;MFCD11155570;AKOS000261477;AT20892;BS-13059;CS-0209230;EN300-85312;A848085

Chemical Property of 2-Sulfanylbenzonitrile

Chemical Property:

• XLogP3: 1.6
• 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:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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