Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl-
Basic information
- CAS
87228-53-3- Standard SMILES
CSC(C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1- InChIKey
MXUQAGMEFYZXTB-UHFFFAOYSA-N- Molecular formula
- C16H16O3S2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.05408672
Names & identifiers
- Preferred name
- Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl-
- IUPAC
- 2-(4-methylphenyl)sulfonyl-2-methylsulfanyl-1-phenylethanone
Names & synonyms
87228-53-3Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl-DTXSID104030632-(4-Methylbenzene-1-sulfonyl)-2-(methylsulfanyl)-1-phenylethan-1-one
Database identifiers
- CAS
87228-53-3- PubChem CID
- 4417908
- DTXSID
DTXSID10403063
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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