1,1'-Sulfonylbis(4-tert-butylbenzene)
Basic information
- CAS
5453-70-3- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1- InChIKey
DQGFHAXHQIHSOQ-UHFFFAOYSA-N- Molecular formula
- C20H26O2S
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.16535124
Names & identifiers
- Preferred name
- 1,1'-Sulfonylbis(4-tert-butylbenzene)
- IUPAC
- 1-tert-butyl-4-(4-tert-butylphenyl)sulfonylbenzene
- English name
- Benzene,1,1'-sulfonylbis[4-(1,1-dimethylethyl)-
- Molecular formula
- C20H26O2S
- Molecular weight
- 330.48
Names & synonyms
1,1'-sulfonylbis(4-tert-butylbenzene)5453-70-3DTXSID80280828RefChem:212454DTXCID902319821,1'-Sulfonylbis[4-(1,1-dimethylethyl)benzene]1-tert-butyl-4-(4-tert-butylphenyl)sulfonylbenzeneNSC18866SCHEMBL9360098NSC-18866AKOS008029104Z56888664
Show more names
Benzene,1,1'-sulfonylbis[4-(1,1-dimethylethyl)-
Database identifiers
- CAS
5453-70-3- PubChem CID
- 227323
- DTXSID
DTXSID80280828
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Melting point
- 213 · 213-215 °C
- Boiling point
- 442.2 · 442.2±34.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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