4-(Octylsulfanyl)benzonitrile

Base Information

• Chemical Name: 4-(Octylsulfanyl)benzonitrile
• CAS No.: 153199-19-0
• Molecular Formula: C15H21NS
• DSSTox Substance ID: DTXSID20569785
• Nikkaji Number: J819.048H
• Wikidata: Q82457008

Synonyms:4-(OCTYLSULFANYL)BENZONITRILE;153199-19-0;p-Octylthiobenzonitrile;SCHEMBL8386311;DTXSID20569785;HIKQLIMXFLPESL-UHFFFAOYSA-N

Chemical Property of 4-(Octylsulfanyl)benzonitrile

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 247.13947085
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSC1=CC=C(C=C1)C#N

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