Basic information
- CAS
6299-84-9- Standard SMILES
CSc1cc(C(=O)O)[nH]c(=O)n1- InChIKey
VIWTZHOQERMFNI-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3S
- Average molar mass
- 186.19 g/mol
- Monoisotopic mass
- 186.00991323
Names & identifiers
- Preferred name
- 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
- IUPAC
- 4-methylsulfanyl-2-oxo-1H-pyrimidine-6-carboxylic acid
Names & synonyms
6299-84-96-(Methylthio)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid6-(methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acidNSC45043DTXSID10286358NSC-45043
Database identifiers
- CAS
6299-84-9- PubChem CID
- 239688
- DTXSID
DTXSID10286358
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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