Basic information
- CAS
454204-72-9- Standard SMILES
CC1(C)C(=O)C(C)(C)C1(Cl)SSCl- InChIKey
DCXAKSSBMMYUKG-UHFFFAOYSA-N- Molecular formula
- C8H12Cl2OS2
- Average molar mass
- 259.2 g/mol
- Monoisotopic mass
- 257.9706627
Names & identifiers
- Preferred name
- Cyclobutanone, 3-chloro-3-(chlorodithio)-2,2,4,4-tetramethyl-
- IUPAC
- (1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutyl)sulfanyl thiohypochlorite
Names & synonyms
454204-72-9Cyclobutanone, 3-chloro-3-(chlorodithio)-2,2,4,4-tetramethyl-DTXSID00454382RefChem:334960DTXCID304052013-CHLORO-3-(CHLORODISULFANYL)-2,2,4,4-TETRAMETHYLCYCLOBUTAN-1-ONE
Database identifiers
- CAS
454204-72-9- PubChem CID
- 11076151
- DTXSID
DTXSID00454382- Nikkaji
- J1.792.461C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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