1,1'-(Methanediyldisulfonyl)bis(4-tert-butylbenzene)
Basic information
- CAS
56255-65-3- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)CS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1- InChIKey
SWOGZDBSWSFUIE-UHFFFAOYSA-N- Molecular formula
- C21H28O4S2
- Average molar mass
- 408.6 g/mol
- Monoisotopic mass
- 408.14290172
Names & identifiers
- Preferred name
- 1,1'-(Methanediyldisulfonyl)bis(4-tert-butylbenzene)
- IUPAC
- 1-tert-butyl-4-[(4-tert-butylphenyl)sulfonylmethylsulfonyl]benzene
Names & synonyms
1,1'-(methanediyldisulfonyl)bis(4-tert-butylbenzene)56255-65-3NSC1226701-tert-butyl-4-[(4-tert-butylphenyl)sulfonylmethylsulfonyl]benzeneSCHEMBL3256579DTXSID20298361NSC-1226701,1'-(Methylenedisulfonyl)bis(4-tert-butylbenzene)
Database identifiers
- CAS
56255-65-3- PubChem CID
- 275697
- DTXSID
DTXSID20298361
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 619
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Related reactions
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Compound notes
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