5-benzyl-2-methylsulfanyl-1H-pyrimidin-6-one
Basic information
- CAS
73717-80-3- Standard SMILES
CSc1ncc(Cc2ccccc2)c(=O)[nH]1- InChIKey
YFSCDOVCYRSTTN-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS
- Average molar mass
- 232.3 g/mol
Names & identifiers
- Preferred name
- 5-benzyl-2-methylsulfanyl-1H-pyrimidin-6-one
- IUPAC
- 5-benzyl-2-methylsulfanyl-1H-pyrimidin-6-one
- English name
- 4(1H)-Pyrimidinone, 2-(methylthio)-5-(phenylmethyl)-
- Molecular formula
- C12H12N2OS
- Molecular weight
- 232.3
Names & synonyms
73717-80-3SCHEMBL7708557SCHEMBL100481974(3H)-Pyrimidinone, 2-(methylthio)-5-(phenylmethyl)-4(1H)-Pyrimidinone, 2-(methylthio)-5-(phenylmethyl)-
Database identifiers
- CAS
73717-80-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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