Basic information
- CAS
1029420-51-6- Standard SMILES
O=C(O)c1nc2ccsc2c(=O)[nH]1- InChIKey
URJNVYDYNROLIZ-UHFFFAOYSA-N- Molecular formula
- C7H4N2O3S
- Average molar mass
- 196.19 g/mol
- Monoisotopic mass
- 195.99426317
Names & identifiers
- Preferred name
- 4-Oxo-3,4-dihydrothieno[3,2-d]pyrimidine-2-carboxylic acid
- IUPAC
- 4-oxo-3H-thieno[3,2-d]pyrimidine-2-carboxylic acid
Names & synonyms
1029420-51-64-Oxo-3,4-dihydrothieno[3,2-d]pyrimidine-2-carboxylic acidSCHEMBL5266417DTXSID307314764-Oxo-3,4-dihydrothieno[3,2-d]pyrimidine-2-carboxylicacid4-Oxo-1,4-dihydrothieno[3,2-d]pyrimidine-2-carboxylic acid
Database identifiers
- CAS
1029420-51-6- PubChem CID
- 136014352
- DTXSID
DTXSID30731476
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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