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301298-00-0 | 5-cyano-2-methyl-N-phenyl-6-sulfanylpyridine-3-carboxamide
CAS No: 301298-00-0 Catalog No: AG019NYS MDL No:MFCD06382877
Product Description
Catalog Number:
AG019NYS
Chemical Name:
5-cyano-2-methyl-N-phenyl-6-sulfanylpyridine-3-carboxamide
CAS Number:
301298-00-0
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD06382877
IUPAC Name:
5-cyano-2-methyl-N-phenyl-6-sulfanylidene-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C14H11N3OS/c1-9-12(7-10(8-15)14(19)16-9)13(18)17-11-5-3-2-4-6-11/h2-7H,1H3,(H,16,19)(H,17,18)
InChI Key:
JBCJJMFKFZTZRK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)Nc2ccccc2)c(nc1S)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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