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Home > Pyridines > 114038-47-0
114038-47-0 | 3-Pyridinecarbonitrile, 1,2-dihydro-4,5,6-triphenyl-2-thioxo-
CAS No: 114038-47-0 Catalog No: AG000ACH MDL No:
Product Description
Catalog Number:
AG000ACH
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-4,5,6-triphenyl-2-thioxo-
CAS Number:
114038-47-0
Molecular Formula:
C24H16N2S
Molecular Weight:
364.4622
IUPAC Name:
4,5,6-triphenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C24H16N2S/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(26-24(20)27)19-14-8-3-9-15-19/h1-15H,(H,26,27)
InChI Key:
TWDHENGVDICRHH-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(c(c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.103g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.466g/mol
Monoisotopic Mass:
364.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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