Basic information
- Standard SMILES
N#Cc1ccc(=O)n(-c2ccccc2)c1[S-].[Na+]- InChIKey
HCRQDHWQFLNEGE-UHFFFAOYSA-M- Molecular formula
- C12H7N2NaOS
- Average molar mass
- 250.25 g/mol
Names & identifiers
- Preferred name
- Sodium 3-cyano-6-oxo-1-phenyl-1,6-dihydropyridine-2-thiolate
- IUPAC
- sodium 3-cyano-6-oxo-1-phenylpyridine-2-thiolate
Names & synonyms
SCHEMBL2782445HCRQDHWQFLNEGE-UHFFFAOYSA-MSodium 3-cyano-6-oxo-1-phenyl-1,6-dihydro-pyridine-2-thiolateSodium 3-cyano-6-oxo-1-phenyl-1,6-dihydropyridine-2-thiolate
Database identifiers
- PubChem CID
- 11615758
Properties
Computed structural properties
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 415
Related reactions
9 records
Compound notes
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