59475-53-5
4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE
Name4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE
1Identification
【Name】
4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE
【CAS】
【MDL】
MFCD09455287
【English Synonyms】
【Formula】
C15 H13 N S
【MolWeight】
239.341
【Inchi】
InChI=1S/C15H13NS/c1-12-2-8-15(9-3-12)17-11-14-6-4-13(10-16)5-7-14/h2-9H,11H2,1H3
【InChIKey】
InChIKey=ZFGICYIHCWGBNE-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2ccc(cc2)C#N
【MOL File】
4-[[(4-METHYLPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE.cml