Basic information
- CAS
89069-19-2- Standard SMILES
CSc1nccc(=O)n1-c1ccccc1F- InChIKey
PCRAYWOXYGXYNF-UHFFFAOYSA-N- Molecular formula
- C11H9FN2OS
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.04196225
Names & identifiers
- Preferred name
- 4(3H)-Pyrimidinone, 3-(2-fluorophenyl)-2-(methylthio)-
- IUPAC
- 3-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-one
Names & synonyms
4(3H)-Pyrimidinone, 3-(2-fluorophenyl)-2-(methylthio)-BRN 445036489069-19-23-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinoneDTXSID90237505NSC 270020RefChem:283742DTXCID50159996NSC270020NSC-2700203-(2-fluorophenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one
Database identifiers
- CAS
89069-19-2- PubChem CID
- 99933
- DTXSID
DTXSID90237505
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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