Basic information
- Standard SMILES
Cn1c(Sc2ccccc2)c(C=O)c(=O)n(C)c1=O- InChIKey
LHQAUKKSMPRGBW-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3S
- Average molar mass
- 276.31 g/mol
Names & identifiers
- Preferred name
- 1,3-Dimethyl-2,4-dioxo-6-(phenylthio)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
- IUPAC
- 1,3-dimethyl-2,4-dioxo-6-phenylsulfanylpyrimidine-5-carbaldehyde
Names & synonyms
SCHEMBL2208445LHQAUKKSMPRGBW-UHFFFAOYSA-N1,3-Dimethyl-2,4-dioxo-6-(phenylthio)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Database identifiers
- PubChem CID
- 86658686
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 441
Related reactions
2 records
Compound notes
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