Basic information
- CAS
80306-56-5- Standard SMILES
COc1ccccc1-n1c(SC)nccc1=O- InChIKey
IGFZWXVHQZAPRW-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.0619488
Names & identifiers
- Preferred name
- 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-
- IUPAC
- 3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
Names & synonyms
4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-BRN 469257080306-56-53-(2-Methoxyphenyl)-2-(methylthio)-4(3H)-pyrimidinoneDTXSID90230238NSC 270018RefChem:283747DTXCID90152729NSC270018NSC-2700183-(2-Methoxyphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one
Database identifiers
- CAS
80306-56-5- PubChem CID
- 100237
- DTXSID
DTXSID90230238
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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