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Home > Pyridines > 259683-21-1
259683-21-1 | 3-Pyridinecarbonitrile, 6-(phenylthio)-
CAS No: 259683-21-1 Catalog No: AG002R8K MDL No:MFCD00832837
Product Description
Catalog Number:
AG002R8K
Chemical Name:
3-Pyridinecarbonitrile, 6-(phenylthio)-
CAS Number:
259683-21-1
Molecular Formula:
C12H8N2S
Molecular Weight:
212.2703
MDL Number:
MFCD00832837
IUPAC Name:
6-phenylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H8N2S/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h1-7,9H
InChI Key:
JSDVHTWWMQBBRE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)Sc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.27g/mol
Monoisotopic Mass:
212.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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