Mesityl phenyl sulfone
Basic information
- CAS
3112-82-1- Standard SMILES
Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(C)c1- InChIKey
KASDQDYPCNMNLM-UHFFFAOYSA-N- Molecular formula
- C15H16O2S
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.08710092
Names & identifiers
- Preferred name
- Mesityl phenyl sulfone
- IUPAC
- 2-(benzenesulfonyl)-1,3,5-trimethylbenzene
Names & synonyms
Mesityl phenyl sulfoneSulfone, mesityl phenyl2,4,6-TrimethyldiphenylsulphoneBenzene, 1,3,5-trimethyl-2-(phenylsulfonyl)-3112-82-12-(benzenesulfonyl)-1,3,5-trimethylbenzenephenyl mesityl sulphone1,3,5-Trimethyl-2-(phenylsulfonyl)benzeneSCHEMBL5932004DTXSID40323184KASDQDYPCNMNLM-UHFFFAOYSA-N2,6-Trimethylphenyl phenyl sulfone
Show more names
Phenyl 2,6-trimethylphenyl sulfoneNSC403306STK331112(2,4,6-Trimethylphenyl)phenylsulfone2,4,6-Trimethylphenyl phenyl sulfoneAKOS005438605Phenyl 2,4,6-trimethylphenyl sulfoneNSC-403306
Database identifiers
- CAS
3112-82-1- PubChem CID
- 345600
- DTXSID
DTXSID40323184- Nikkaji
- J581.408A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
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Compound notes
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