Basic information
- CAS
91540-53-3- Standard SMILES
NC(=O)c1cccn(-c2ccccc2)c1=S- InChIKey
JKOWATYRKPSXHB-UHFFFAOYSA-N- Molecular formula
- C12H10N2OS
- Average molar mass
- 230.29 g/mol
- Monoisotopic mass
- 230.05138412
Names & identifiers
- Preferred name
- 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide
- IUPAC
- 1-phenyl-2-sulfanylidenepyridine-3-carboxamide
Names & synonyms
NSC36428091540-53-3SCHEMBL21812530DTXSID10320781NSC-364280DS-0049643-Pyridinecarboxamide,1,2-dihydro-1-phenyl-2-thioxo-1-Phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carboxamide
Database identifiers
- CAS
91540-53-3- PubChem CID
- 339151
- DTXSID
DTXSID10320781
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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