Basic information
- CAS
83790-99-2- Standard SMILES
ClC(Cl)=C(Cl)Sc1ccccc1- InChIKey
CRLRIBPCCKJLNU-UHFFFAOYSA-N- Molecular formula
- C8H5Cl3S
- Average molar mass
- 239.5 g/mol
- Monoisotopic mass
- 237.917754
Names & identifiers
- Preferred name
- [(Trichloroethenyl)sulfanyl]benzene
- IUPAC
- 1,2,2-trichloroethenylsulfanylbenzene
Names & synonyms
83790-99-2[(Trichloroethenyl)sulfanyl]benzeneNSC349957DTXSID30319733NSC-349957[(1,2,2-Trichloroethen-1-yl)sulfanyl]benzene
Database identifiers
- CAS
83790-99-2- PubChem CID
- 336293
- DTXSID
DTXSID30319733
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…