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Home > Pyridines > 130562-04-8
130562-04-8 | 4-Pyridinecarbonitrile, 2-[(2-cyano-4-pyridinyl)thio]-
CAS No: 130562-04-8 Catalog No: AG000UM8 MDL No:
Product Description
Catalog Number:
AG000UM8
Chemical Name:
4-Pyridinecarbonitrile, 2-[(2-cyano-4-pyridinyl)thio]-
CAS Number:
130562-04-8
Molecular Formula:
C12H6N4S
Molecular Weight:
238.2678
IUPAC Name:
2-(2-cyanopyridin-4-yl)sulfanylpyridine-4-carbonitrile
InChI:
InChI=1S/C12H6N4S/c13-7-9-1-3-16-12(5-9)17-11-2-4-15-10(6-11)8-14/h1-6H
InChI Key:
BONMKWKDWRFOCQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)Sc1ccnc(c1)C#N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.268g/mol
Monoisotopic Mass:
238.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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