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78564-19-9 | 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile
CAS No: 78564-19-9 Catalog No: AG01EXEC MDL No:
Product Description
Catalog Number:
AG01EXEC
Chemical Name:
4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile
CAS Number:
78564-19-9
Molecular Formula:
C19H14N2S
Molecular Weight:
302.3929
IUPAC Name:
6-(4-methylphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C19H14N2S/c1-13-7-9-15(10-8-13)18-11-16(14-5-3-2-4-6-14)17(12-20)19(22)21-18/h2-11H,1H3,(H,21,22)
InChI Key:
KQMSDUBWVYUTPO-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.395g/mol
Monoisotopic Mass:
302.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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