70541-99-0
5-CYANO-4-METHYL-3-PHENYL-2-THIOPHENECARBOXAMIDE
Name5-CYANO-4-METHYL-3-PHENYL-2-THIOPHENECARBOXAMIDE
1Identification
【Name】
5-CYANO-4-METHYL-3-PHENYL-2-THIOPHENECARBOXAMIDE
【CAS】
【MDL】
MFCD03425789
【English Synonyms】
【Formula】
C13 H10 N2 O S
【MolWeight】
242.301
【Inchi】
InChI=1S/C13H10N2OS/c1-8-10(7-14)17-12(13(15)16)11(8)9-5-3-2-4-6-9/h2-6H,1H3,(H2,15,16)
【InChIKey】
InChIKey=ZTZHNCQVFOLOEO-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(c1c2ccccc2)C(=O)N)C#N
【MOL File】
5-CYANO-4-METHYL-3-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-CYANO-4-METHYL-3-PHENYL-2-THIOPHENECARBOXAMIDE.cml