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Home > Pyridines > 828276-44-4
828276-44-4 | 2(1H)-Pyridinone, 6-(methylthio)-3-phenyl-
CAS No: 828276-44-4 Catalog No: AG0055PI MDL No:
Product Description
Catalog Number:
AG0055PI
Chemical Name:
2(1H)-Pyridinone, 6-(methylthio)-3-phenyl-
CAS Number:
828276-44-4
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
6-methylsulfanyl-3-phenyl-1H-pyridin-2-one
InChI:
InChI=1S/C12H11NOS/c1-15-11-8-7-10(12(14)13-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)
InChI Key:
YWSXRUQVPMBDCC-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(=O)[nH]1)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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