3-[4-(Methylsulfanyl)phenyl]benzonitrile

Base Information

• Chemical Name: 3-[4-(Methylsulfanyl)phenyl]benzonitrile
• CAS No.: 893734-96-8
• Molecular Formula: C14H11NS
• Molecular Weight: 225.30884
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30362729
• Wikidata: Q82146085
• Mol file: 893734-96-8.mol

Synonyms:893734-96-8;4'-(Methylthio)-[1,1'-biphenyl]-3-carbonitrile;3-[4-(Methylsulfanyl)phenyl]benzonitrile;3-(4-methylsulfanylphenyl)benzonitrile;4'-(Methylsulfanyl)[1,1'-biphenyl]-3-carbonitrile;SCHEMBL23625528;DTXSID30362729;MFCD05980600;AKOS004117460;BS-23910;BB 0223033;CS-0210797

Chemical Property of 3-[4-(Methylsulfanyl)phenyl]benzonitrile

Chemical Property:

• PSA: 49.09000
• LogP: 3.94718
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 225.06122053
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

3-[4-(Methylsulfanyl)phenyl]benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C2=CC=CC(=C2)C#N