3-methyl-2,4-dioxo-6-phenylsulfanyl-1H-pyrimidine-5-carbaldehyde
Basic information
- CAS
69139-09-9- Standard SMILES
Cn1c(=O)[nH]c(Sc2ccccc2)c(C=O)c1=O- InChIKey
HLSUTXVQUAQLSH-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3S
- Average molar mass
- 262.29 g/mol
- Monoisotopic mass
- 262.04121336
Names & identifiers
- Preferred name
- 3-methyl-2,4-dioxo-6-phenylsulfanyl-1H-pyrimidine-5-carbaldehyde
- IUPAC
- 3-methyl-2,4-dioxo-6-phenylsulfanyl-1H-pyrimidine-5-carbaldehyde
Names & synonyms
NSC29693769139-09-9DTXSID10315733NSC-2969373-Methyl-2,4-dioxo-6-(phenylsulfanyl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Database identifiers
- CAS
69139-09-9- PubChem CID
- 326196
- DTXSID
DTXSID10315733
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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