Basic information
- CAS
89069-27-2- Standard SMILES
COc1cccc(-n2c(SC)nccc2=O)c1- InChIKey
OJFOMYWZQKHGOT-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.0619488
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)-2-(methylthio)pyrimidin-4(3H)-one
- IUPAC
- 3-(3-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
Names & synonyms
89069-27-23-(3-Methoxyphenyl)-2-(methylthio)pyrimidin-4(3H)-oneNSC270016DTXSID30313413NSC-2700163-(3-Methoxyphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one
Database identifiers
- CAS
89069-27-2- PubChem CID
- 320884
- DTXSID
DTXSID30313413
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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