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Home > Other Building Blocks > 100142-46-9
100142-46-9 | 4(3H)-Pyrimidinone, 2-(methylthio)-6-(phenylmethyl)-
CAS No: 100142-46-9 Catalog No: AG00013R MDL No:MFCD00449195
Product Description
Catalog Number:
AG00013R
Chemical Name:
4(3H)-Pyrimidinone, 2-(methylthio)-6-(phenylmethyl)-
CAS Number:
100142-46-9
Molecular Formula:
C12H12N2OS
Molecular Weight:
232.3015
MDL Number:
MFCD00449195
IUPAC Name:
4-benzyl-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H12N2OS/c1-16-12-13-10(8-11(15)14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
InChI Key:
FQRCZXHZAKAIFX-UHFFFAOYSA-N
SMILES:
CSc1nc(Cc2ccccc2)cc(=O)[nH]1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.301g/mol
Monoisotopic Mass:
232.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines. | Journal of medicinal chemistry 19950818 |
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