2,4',5-Trichloro-4-(methylsulfanyl)-1,1'-biphenyl
Basic information
- CAS
66640-43-5- Standard SMILES
CSc1cc(Cl)c(-c2ccc(Cl)cc2)cc1Cl- InChIKey
HGMBVXFPQWBYNK-UHFFFAOYSA-N- Molecular formula
- C13H9Cl3S
- Average molar mass
- 303.6 g/mol
- Monoisotopic mass
- 301.949055
Names & identifiers
- Preferred name
- 2,4',5-Trichloro-4-(methylsulfanyl)-1,1'-biphenyl
- IUPAC
- 1,4-dichloro-2-(4-chlorophenyl)-5-methylsulfanylbenzene
Names & synonyms
66640-43-52,4',5-Trichloro-4-(methylsulfanyl)-1,1'-biphenylDTXSID20499896
Database identifiers
- CAS
66640-43-5- PubChem CID
- 12482004
- DTXSID
DTXSID20499896
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…