Basic information
- Standard SMILES
Cc1ccc(S([NH-])(=O)=O)cc1- InChIKey
NJJVRWBREKHQFA-UHFFFAOYSA-N- Molecular formula
- C7H8NO2S-
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.02757467
Names & identifiers
- Preferred name
- (4-Methylphenyl)sulfonylazanide
- IUPAC
- (4-methylphenyl)sulfonylazanide
Database identifiers
- PubChem CID
- 3845962
- Nikkaji
- J497.072A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 209
Related reactions
2 records
Compound notes
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