Basic information
- Standard SMILES
CC(C)(Sc1cccc([N+](=O)[O-])c1)c1ccccc1- InChIKey
CCIVLFNDGXBORG-UHFFFAOYSA-N- Molecular formula
- C15H15NO2S
- Average molar mass
- 273.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-Methyl-1-phenylethylthio)nitrobenzene
- IUPAC
- 1-nitro-3-(2-phenylpropan-2-ylsulfanyl)benzene
Names & synonyms
SCHEMBL4306350CCIVLFNDGXBORG-UHFFFAOYSA-N3-(1-methyl-1-phenylethylthio)nitrobenzene
Database identifiers
- PubChem CID
- 68995809
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
1 records
Compound notes
Loading…