Basic information
- CAS
1391408-55-1- Standard SMILES
C[C@@H](N)c1cccc(Sc2ccccc2[N+](=O)[O-])c1- InChIKey
MBWNMOGVDCVZHJ-SNVBAGLBSA-N- Molecular formula
- C14H14N2O2S
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.07759887
Names & identifiers
- Preferred name
- (1R)-1-{3-[(2-Nitrophenyl)sulfanyl]phenyl}ethan-1-amine
- IUPAC
- (1R)-1-[3-(2-nitrophenyl)sulfanylphenyl]ethanamine
Names & synonyms
DTXSID001186669(1R)-1-{3-[(2-Nitrophenyl)sulfanyl]phenyl}ethan-1-amineBenzenemethanamine, I+/--methyl-3-[(2-nitrophenyl)thio]-, (I+/-R)-1391408-55-1
Database identifiers
- CAS
1391408-55-1- PubChem CID
- 165353045
- DTXSID
DTXSID001186669
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…