Basic information
- CAS
4560-93-4- Standard SMILES
CCCCSSC(Cl)C(Cl)Cl- InChIKey
YBBKIICIEUHEPI-UHFFFAOYSA-N- Molecular formula
- C6H11Cl3S2
- Average molar mass
- 253.6 g/mol
- Monoisotopic mass
- 251.936776
Names & identifiers
- Preferred name
- Disulfide, butyl 1,2,2-trichloroethyl
- IUPAC
- 1-(1,2,2-trichloroethyldisulfanyl)butane
- English name
- Butyl 1,2,2-trichloroethyl persulfide
- Molecular formula
- C6H11Cl3S2
- Molecular weight
- 253.64
Names & synonyms
Chemagro 4537Butyl 1,2,2-trichloroethyl disulfide4560-93-4BRN 2346919ENT 27,274DISULFIDE, BUTYL 1,2,2-TRICHLOROETHYLRefChem:339229Butyl 1,2,2-trichloroethyl persulfide1-[(1,2,2-Trichloroethyl)disulfanyl]butaneDTXSID80963402ENT-27274Chemagro-4537
Show more names
Disulfide, butyl 1,2,2-trichloroethyl (7CI,8CI)
Database identifiers
- CAS
4560-93-4- PubChem CID
- 20693
- DTXSID
DTXSID80963402- Nikkaji
- J34.818J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 89.9
Physicochemical properties
- Boiling point
- 257 · 257.0±40.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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