Basic information
- Standard SMILES
O=C1Nc2sc(C(=O)O)cc2C1=Cc1ccc[nH]1- InChIKey
WTUNUBPITUDLJK-UHFFFAOYSA-N- Molecular formula
- C12H8N2O3S
- Average molar mass
- 260.27 g/mol
Names & identifiers
- Preferred name
- 5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
- IUPAC
- 5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
Names & synonyms
SCHEMBL6628240
Database identifiers
- PubChem CID
- 69844591
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 424
Related reactions
1 records
Compound notes
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