[2,2-Bis(methylsulfonyl)ethenyl]benzene
Basic information
- CAS
69914-27-8- Standard SMILES
CS(=O)(=O)C(=Cc1ccccc1)S(C)(=O)=O- InChIKey
XWVQTHWHWJLLSG-UHFFFAOYSA-N- Molecular formula
- C10H12O4S2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.01770121
Names & identifiers
- Preferred name
- [2,2-Bis(methylsulfonyl)ethenyl]benzene
- IUPAC
- 2,2-bis(methylsulfonyl)ethenylbenzene
Names & synonyms
69914-27-8NSC243595[2,2-bis(methylsulfonyl)ethenyl]benzeneDTXSID60311467XWVQTHWHWJLLSG-UHFFFAOYSA-NNSC-243595[2,2-Di(methanesulfonyl)ethenyl]benzene[2,2-Di(methanesulfonyl)ethen-1-yl]benzeneBenzene, [2,2-bis(methylsulfonyl)ethenyl]-
Database identifiers
- CAS
69914-27-8- PubChem CID
- 316136
- DTXSID
DTXSID60311467
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 420
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Related reactions
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Compound notes
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