S-(Bis((4-methylphenyl)sulfonyl)methyl) 4-methylbenzenesulfonothioate
Basic information
- CAS
75195-73-2- Standard SMILES
Cc1ccc(S(=O)(=O)SC(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
YDWSRJKLEWDJCL-UHFFFAOYSA-N- Molecular formula
- C22H22O6S4
- Average molar mass
- 510.7 g/mol
- Monoisotopic mass
- 510.02992311
Names & identifiers
- Preferred name
- S-(Bis((4-methylphenyl)sulfonyl)methyl) 4-methylbenzenesulfonothioate
- IUPAC
- 1-methyl-4-[(4-methylphenyl)sulfonyl-(4-methylphenyl)sulfonylsulfanylmethyl]sulfonylbenzene
Names & synonyms
75195-73-2S-(Bis((4-methylphenyl)sulfonyl)methyl) 4-methylbenzenesulfonothioateNSC289796NSC 289796DTXSID70226174NSC-2897961-methyl-4-[p-tolylsulfonyl(p-tolylsulfonylsulfanyl)methyl]sulfonyl-benzeneS-[Bis(4-methylbenzene-1-sulfonyl)methyl] 4-methylbenzene-1-sulfonothioate
Database identifiers
- CAS
75195-73-2- PubChem CID
- 324428
- DTXSID
DTXSID70226174
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 864
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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