2,5-Bis[(4-methylphenyl)sulfonylmethyl]-1,4-dioxane
Basic information
- CAS
7497-34-9- Standard SMILES
Cc1ccc(S(=O)(=O)CC2COC(CS(=O)(=O)c3ccc(C)cc3)CO2)cc1- InChIKey
NFJDGKCAEINPMT-UHFFFAOYSA-N- Molecular formula
- C20H24O6S2
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.10143083
Names & identifiers
- Preferred name
- 2,5-Bis[(4-methylphenyl)sulfonylmethyl]-1,4-dioxane
- IUPAC
- 2,5-bis[(4-methylphenyl)sulfonylmethyl]-1,4-dioxane
Names & synonyms
7497-34-9NSC4050882,5-bis[(4-methylphenyl)sulfonylmethyl]-1,4-dioxaneDTXSID70323899NSC-4050882,5-Bis[(4-methylbenzene-1-sulfonyl)methyl]-1,4-dioxane
Database identifiers
- CAS
7497-34-9- PubChem CID
- 346771
- DTXSID
DTXSID70323899
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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