Basic information
- CAS
149858-94-6- Standard SMILES
Clc1ccc(Sc2ccccc2)c(Cl)c1Cl- InChIKey
KATHYBZZJIQVEB-UHFFFAOYSA-N- Molecular formula
- C12H7Cl3S
- Average molar mass
- 289.6 g/mol
- Monoisotopic mass
- 287.933404
Names & identifiers
- Preferred name
- Benzene, 1,1'-thiobis-, trichloro deriv.
- IUPAC
- 1,2,3-trichloro-4-phenylsulfanylbenzene
Names & synonyms
Benzene, 1,1'-thiobis-, trichloro deriv.149858-94-61,2,3-TRICHLORO-4-(PHENYLSULFANYL)BENZENESCHEMBL6730066DTXSID80164417
Database identifiers
- CAS
149858-94-6- PubChem CID
- 177887
- DTXSID
DTXSID80164417- Nikkaji
- J678.111J
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…