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89069-38-5 | 4(3H)-Pyrimidinone, 6-methyl-3-(2-methylphenyl)-2-(methylthio)-
CAS No: 89069-38-5 Catalog No: AG0041A5 MDL No:
Product Description
Catalog Number:
AG0041A5
Chemical Name:
4(3H)-Pyrimidinone, 6-methyl-3-(2-methylphenyl)-2-(methylthio)-
CAS Number:
89069-38-5
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
IUPAC Name:
6-methyl-3-(2-methylphenyl)-2-methylsulfanylpyrimidin-4-one
InChI:
InChI=1S/C13H14N2OS/c1-9-6-4-5-7-11(9)15-12(16)8-10(2)14-13(15)17-3/h4-8H,1-3H3
InChI Key:
FCFSZDJAVYIXPH-UHFFFAOYSA-N
SMILES:
CSc1nc(C)cc(=O)n1c1ccccc1C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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