Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccccc2Sc2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
YCDAYQPAANRZKG-UHFFFAOYSA-N- Molecular formula
- C24H16N2O4S
- Average molar mass
- 428.5 g/mol
Names & identifiers
- Preferred name
- 4-Nitrophenylphenyl Sulfide
- IUPAC
- 1-(4-nitrophenyl)-2-[2-(4-nitrophenyl)phenyl]sulfanylbenzene
Names & synonyms
4-Nitrophenylphenyl SulfideSCHEMBL2818365YCDAYQPAANRZKG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 54500592
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 554
Related reactions
2 records
Compound notes
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