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89407-37-4 | 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-
CAS No: 89407-37-4 Catalog No: AG003VXX MDL No:
Product Description
Catalog Number:
AG003VXX
Chemical Name:
3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-
CAS Number:
89407-37-4
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
IUPAC Name:
2-benzylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2S/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h1-8H,10H2
InChI Key:
XMKZNELJNRWNDM-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1SCc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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