S-(Bis(phenylsulfonyl)methyl) benzenesulfonothioate
Basic information
- CAS
29728-01-6- Standard SMILES
O=S(=O)(SC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1- InChIKey
VUUKLVXRKZGTIP-UHFFFAOYSA-N- Molecular formula
- C19H16O6S4
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 467.98297292
Names & identifiers
- Preferred name
- S-(Bis(phenylsulfonyl)methyl) benzenesulfonothioate
- IUPAC
- [benzenesulfonyl(benzenesulfonylsulfanyl)methyl]sulfonylbenzene
Names & synonyms
S-(Bis(phenylsulfonyl)methyl) benzenesulfonothioate29728-01-6NSC 277528NSC277528DTXSID00183882[benzenesulfonyl(benzenesulfonylsulfanyl)methyl]sulfonylbenzeneBenzenesulfonothioic acid, S-[bis(phenylsulfonyl)methyl] esterNSC-277528S-Di(benzenesulfonyl)methyl benzenesulfonothioateBenzenesulfonothioic acid, {S-[bis(phenylsulfonyl)methyl]} ester
Database identifiers
- CAS
29728-01-6- PubChem CID
- 322033
- DTXSID
DTXSID00183882
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 780
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Related reactions
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Compound notes
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