Basic information
- Standard SMILES
O=C(O)c1cc2cc(CSSc3ccccn3)ccc2o1- InChIKey
TWBMZTFVYUONKP-UHFFFAOYSA-N- Molecular formula
- C15H11NO3S2
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.01803556
Names & identifiers
- Preferred name
- 5-(2-Pyridyldithiomethyl)benzofuran-2-carboxylic acid
- IUPAC
- 5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Names & synonyms
SCHEMBL8045854TWBMZTFVYUONKP-UHFFFAOYSA-N5-(2-pyridyldithiomethyl)benzofuran-2-carboxylic acid
Database identifiers
- PubChem CID
- 15345485
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
5 records
Compound notes
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