Basic information
- Standard SMILES
O=c1ncc(Cl)cn1CSc1ccc(CO)cc1- InChIKey
LMILTSOWXPDAAF-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O2S
- Average molar mass
- 282.75 g/mol
Names & identifiers
- Preferred name
- 1-(4-Hydroxymethylphenylthiomethyl)-5-chloropyrimidin-2-one
- IUPAC
- 5-chloro-1-[[4-(hydroxymethyl)phenyl]sulfanylmethyl]pyrimidin-2-one
Names & synonyms
SCHEMBL10745802LMILTSOWXPDAAF-UHFFFAOYSA-N1-(4-Hydroxymethylphenylthiomethyl)-5-chloropyrimidin-2-one
Database identifiers
- PubChem CID
- 20161339
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Related reactions
3 records
Compound notes
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