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Home > Pyridines > 851879-14-6
851879-14-6 | 6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanyl-1,6-dihydropyridine-3-carbonitrile
CAS No: 851879-14-6 Catalog No: AG019NZT MDL No:MFCD06655271
Product Description
Catalog Number:
AG019NZT
Chemical Name:
6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanyl-1,6-dihydropyridine-3-carbonitrile
CAS Number:
851879-14-6
Molecular Formula:
C15H9N3OS2
Molecular Weight:
311.3815
MDL Number:
MFCD06655271
IUPAC Name:
6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C15H9N3OS2/c16-7-10-6-11(13(19)18-14(10)20)15-17-12(8-21-15)9-4-2-1-3-5-9/h1-6,8H,(H2,18,19,20)
InChI Key:
FQHZLWYXTKXQRM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c2scc(n2)c2ccccc2)c(=O)[nH]c1S
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.019g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.377g/mol
Monoisotopic Mass:
311.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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