Basic information
- Standard SMILES
O=C(O)c1cccc(Sc2ccccc2)n1- InChIKey
QVFNUGUVXMKBAE-UHFFFAOYSA-N- Molecular formula
- C12H9NO2S
- Average molar mass
- 231.27 g/mol
Names & identifiers
- Preferred name
- 6-Phenylthio-2-pyridylcarboxylic acid
- IUPAC
- 6-phenylsulfanylpyridine-2-carboxylic acid
Names & synonyms
SCHEMBL11469456QVFNUGUVXMKBAE-UHFFFAOYSA-N6-phenylthio-2-pyridylcarboxylic acidAKOS011522232
Database identifiers
- PubChem CID
- 23341822
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Related reactions
2 records
Compound notes
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