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Basic information
- Standard SMILES
CSc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
FRJVSWPNZJSFRY-UHFFFAOYSA-N- Molecular formula
- C15H13NO2S
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.06669983
Names & identifiers
- Preferred name
- 1-[2-(4-Methylsulfanylphenyl)ethenyl]-4-nitrobenzene
- IUPAC
- 1-[2-(4-methylsulfanylphenyl)ethenyl]-4-nitrobenzene
Database identifiers
- PubChem CID
- 285018
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- 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
- 311
Related reactions
0 records
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Compound notes
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