Basic information
- CAS
1886-75-5- Standard SMILES
CC(C)(C)S(=O)(=O)C(C)(C)C- InChIKey
SPJQDMKTFSPPLO-UHFFFAOYSA-N- Molecular formula
- C8H18O2S
- Average molar mass
- 178.29 g/mol
- Monoisotopic mass
- 178.10275099
Names & identifiers
- Preferred name
- Propane, 2-((1,1-dimethylethyl)sulfonyl)-2-methyl-
- IUPAC
- 2-tert-butylsulfonyl-2-methylpropane
- English name
- Ditert-butyl sulfone
- Molecular formula
- C8H18O2S
- Molecular weight
- 178.29
Names & synonyms
tert-Butyl sulfoneDi-tert-Butyl sulfoneDi-tert-butyl sulphonePropane, 2-[(1,1-dimethylethyl)sulfonyl]-2-methyl-Propane, 2-((1,1-dimethylethyl)sulfonyl)-2-methyl-DTXSID80172234NSC 1790322-((1,1-Dimethylethyl)-sulphonyl)-2-methylpropaneRefChem:176283DTXCID1094725SPJQDMKTFSPPLO-UHFFFAOYSA-N1886-75-5
Show more names
Ditert-butyl sulfone2-(tert-Butylsulfonyl)-2-methylpropane2-tert-butylsulfonyl-2-methylpropanet-butyl sulfone2-methyl-2-(2-methylpropane-2-sulfonyl)propaneSCHEMBL776336MFCD00040034NSC179032
Database identifiers
- CAS
1886-75-5- PubChem CID
- 15899
- DTXSID
DTXSID80172234- Nikkaji
- J102.651H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 129.9 °C · 129.9°C
- Boiling point
- 247.85 °C · 247.85°C
- Density
- 1.0086 · 1.0086 (estimate)
- refractive index
- 1.4433 · 1.4433 (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Dimethyl sulfone and Dipropyl sulfone.
Chemistry & industry
Suppliers1 total
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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