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17649-31-9 | 4(3H)-Pyrimidinone, 6-methyl-2-[(2-oxo-2-phenylethyl)thio]-
CAS No: 17649-31-9 Catalog No: AG0024PM MDL No:
Product Description
Catalog Number:
AG0024PM
Chemical Name:
4(3H)-Pyrimidinone, 6-methyl-2-[(2-oxo-2-phenylethyl)thio]-
CAS Number:
17649-31-9
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
IUPAC Name:
4-methyl-2-phenacylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C13H12N2O2S/c1-9-7-12(17)15-13(14-9)18-8-11(16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,17)
InChI Key:
LDUQCWSKGSQRBH-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c(n1)SCC(=O)c1ccccc1
NSC Number:
338484
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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