3-Tert-butylsulfanylthiolane 1,1-dioxide
Basic information
- CAS
6338-64-3- Standard SMILES
CC(C)(C)SC1CCS(=O)(=O)C1- InChIKey
KZAZKCUPERCWGD-UHFFFAOYSA-N- Molecular formula
- C8H16O2S2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.0591721
Names & identifiers
- Preferred name
- 3-Tert-butylsulfanylthiolane 1,1-dioxide
- IUPAC
- 3-tert-butylsulfanylthiolane 1,1-dioxide
- English name
- 3-tert-butylsulfanylthiolane 1,1-dioxide
- Molecular formula
- C8H16O2S2
- Molecular weight
- 208.34
Names & synonyms
6338-64-33-tert-butylsulfanylthiolane 1,1-dioxideNSC40777DTXSID20285170NSC-40777AKOS0022750883-(tert-butylthio)thiolane-1,1-dioneCCG-122790ST501795943-(tert-Butylsulfanyl)-1lambda~6~-thiolane-1,1-dioneThiophene, 3-[(1,1-dimethylethyl)thio]tetrahydro-, 1,1-dioxide
Database identifiers
- CAS
6338-64-3- PubChem CID
- 237364
- DTXSID
DTXSID20285170
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 72.3 · 72.3-72.8 °C
- Boiling point
- 364.7 · 364.7±35.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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