Basic information
- Standard SMILES
CCSc1c(C=O)c(=O)n(C)c(=O)n1C- InChIKey
BBUXWNQPWSDWEI-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3S
- Average molar mass
- 228.27 g/mol
Names & identifiers
- Preferred name
- 6-(Ethylthio)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
- IUPAC
- 4-ethylsulfanyl-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
Names & synonyms
SCHEMBL2213480BBUXWNQPWSDWEI-UHFFFAOYSA-N6-(Ethylthio)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Database identifiers
- PubChem CID
- 58484335
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 351
Related reactions
6 records
Compound notes
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