Basic information
- Standard SMILES
Cc1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl- InChIKey
BBXILHXBZHMSCB-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2S
- Average molar mass
- 279.74 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-nitrophenyl 2-tolyl sulphide
- IUPAC
- 2-chloro-1-(2-methylphenyl)sulfanyl-4-nitrobenzene
Names & synonyms
SCHEMBL8307472BBXILHXBZHMSCB-UHFFFAOYSA-N2-chloro-4-nitrophenyl 2-tolyl sulphide
Database identifiers
- PubChem CID
- 18967686
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
2 records
Compound notes
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