5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
Basic information
- CAS
78202-90-1- Standard SMILES
NC(=O)c1[nH]c(=O)[nH]c(=O)c1CSc1ccc(Cl)cc1- InChIKey
DSEHGKPOWKFDAN-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O3S
- Average molar mass
- 311.74 g/mol
- Monoisotopic mass
- 311.0131401
Names & identifiers
- Preferred name
- 5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
- IUPAC
- 5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
Names & synonyms
78202-90-1NSC351339DTXSID30319854NSC-3513395-{[(4-Chlorophenyl)sulfanyl]methyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
Database identifiers
- CAS
78202-90-1- PubChem CID
- 336570
- DTXSID
DTXSID30319854
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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