Basic information
- Standard SMILES
N#Cc1ccccc1Sc1ccccc1[N+](=O)[O-]- InChIKey
SQRCLIJDYYIICX-UHFFFAOYSA-N- Molecular formula
- C13H8N2O2S
- Average molar mass
- 256.28 g/mol
Names & identifiers
- Preferred name
- 2-(2-Nitrophenylthio)benzonitrile
- IUPAC
- 2-(2-nitrophenyl)sulfanylbenzonitrile
Names & synonyms
SCHEMBL9132890SQRCLIJDYYIICX-UHFFFAOYSA-N2-(2-Nitrophenylthio)benzonitrile
Database identifiers
- PubChem CID
- 20084450
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Related reactions
4 records
Compound notes
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