Basic information
- CAS
89069-26-1- Standard SMILES
CSc1nccc(=O)n1-c1ccc(C)cc1- InChIKey
KRGNEFLZRPBCJR-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.06703418
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one
- IUPAC
- 3-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-one
Names & synonyms
89069-26-1DTXSID203134023-(4-Methylphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-oneRefChem:274805DTXCID20264526NSC269986NSC-269986
Database identifiers
- CAS
89069-26-1- PubChem CID
- 320856
- DTXSID
DTXSID20313402
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- 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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