Basic information
- CAS
52739-92-1- Standard SMILES
ClC(Cl)(Cl)SSc1ccccc1- InChIKey
WNSZVZLYZSHDGM-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3S2
- Average molar mass
- 259.6 g/mol
- Monoisotopic mass
- 257.889826
Names & identifiers
- Preferred name
- Disulfide, phenyl trichloromethyl
- IUPAC
- (trichloromethyldisulfanyl)benzene
Names & synonyms
DISULFIDE, PHENYL TRICHLOROMETHYLPhenyl trichloromethyl disulfide52739-92-1BRN 1944371DTXSID402007244-06-00-01562 (Beilstein Handbook Reference)RefChem:339240DTXCID70123215[(trichloromethyl)disulfanyl]benzene
Database identifiers
- CAS
52739-92-1- PubChem CID
- 40515
- DTXSID
DTXSID40200724- Nikkaji
- J87.560K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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