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Home > Pyridines > 114361-54-5
114361-54-5 | 2(1H)-Pyridinone, 4-(methylthio)-6-phenyl-
CAS No: 114361-54-5 Catalog No: AG000B5R MDL No:
Product Description
Catalog Number:
AG000B5R
Chemical Name:
2(1H)-Pyridinone, 4-(methylthio)-6-phenyl-
CAS Number:
114361-54-5
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
4-methylsulfanyl-6-phenyl-1H-pyridin-2-one
InChI:
InChI=1S/C12H11NOS/c1-15-10-7-11(13-12(14)8-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)
InChI Key:
KQCHKZRSYFNZOQ-UHFFFAOYSA-N
SMILES:
CSc1cc(=O)[nH]c(c1)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:
2.1
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