((((Benzylsulfonyl)methyl)sulfonyl)methyl)benzene
Basic information
- CAS
6331-52-8- Standard SMILES
O=S(=O)(Cc1ccccc1)CS(=O)(=O)Cc1ccccc1- InChIKey
DKXNMYFLQWZCGD-UHFFFAOYSA-N- Molecular formula
- C15H16O4S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.04900133
Names & identifiers
- Preferred name
- ((((Benzylsulfonyl)methyl)sulfonyl)methyl)benzene
- IUPAC
- benzylsulfonylmethylsulfonylmethylbenzene
Names & synonyms
6331-52-8((((Benzylsulfonyl)methyl)sulfonyl)methyl)benzeneDTXSID80212700RefChem:1048792DTXCID70135191NSC 139671MLS002608800NSC139671benzylsulfonylmethylsulfonylmethylbenzeneNSC47094CHEMBL1864089SCHEMBL15136811
Show more names
S,S'-Methylenebis[benzylsulfone]DKXNMYFLQWZCGD-UHFFFAOYSA-NHMS3085A07NSC-47094NSC-139671SMR0015275411,1'-[Methylenebis(sulfonylmethylene)]dibenzene(([(Benzylsulfonyl)methyl]sulfonyl)methyl)benzene #
Database identifiers
- CAS
6331-52-8- PubChem CID
- 240665
- DTXSID
DTXSID80212700- ChEMBL
CHEMBL1864089
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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