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89069-37-4 | 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-6-methyl-2-(methylthio)-
CAS No: 89069-37-4 Catalog No: AG0041A6 MDL No:
Product Description
Catalog Number:
AG0041A6
Chemical Name:
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-6-methyl-2-(methylthio)-
CAS Number:
89069-37-4
Molecular Formula:
C12H11ClN2OS
Molecular Weight:
266.7465
IUPAC Name:
3-(2-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-one
InChI:
InChI=1S/C12H11ClN2OS/c1-8-7-11(16)15(12(14-8)17-2)10-6-4-3-5-9(10)13/h3-7H,1-2H3
InChI Key:
SMLIMXAORLGKAR-UHFFFAOYSA-N
SMILES:
CSc1nc(C)cc(=O)n1c1ccccc1Cl
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.743g/mol
Monoisotopic Mass:
266.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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