200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 180791-02-0
180791-02-0 | 4-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-
CAS No: 180791-02-0 Catalog No: AG0022CO MDL No:
Product Description
Catalog Number:
AG0022CO
Chemical Name:
4-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-
CAS Number:
180791-02-0
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
IUPAC Name:
2-benzylsulfanylpyridine-4-carbonitrile
InChI:
InChI=1S/C13H10N2S/c14-9-12-6-7-15-13(8-12)16-10-11-4-2-1-3-5-11/h1-8H,10H2
InChI Key:
CSEJMYVAIPCCMY-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)SCc1ccccc1
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.