Basic information
- Standard SMILES
CSc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1- InChIKey
HVNMWQDGPGVEBN-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3S
- Average molar mass
- 288.32 g/mol
Names & identifiers
- Preferred name
- N-[3-(methylsulfanyl)phenyl]-3-nitrobenzamide
- IUPAC
- N-(3-methylsulfanylphenyl)-3-nitrobenzamide
Names & synonyms
SCHEMBL8714767HVNMWQDGPGVEBN-UHFFFAOYSA-NSTL118374AKOS0032069343-Nitro-N-(3-methylthiophenyl)benzamideN-[3-(methylthio)phenyl]-3-nitrobenzamideN-[3-(methylsulfanyl)phenyl]-3-nitrobenzamideSR-01000254686SR-01000254686-1
Database identifiers
- PubChem CID
- 895917
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
1 records
Compound notes
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