Basic information
- CAS
26446-74-2- Standard SMILES
Cc1ccccc1S(=O)(=O)c1ccccc1- InChIKey
UJHQTIAOYSYPHZ-UHFFFAOYSA-N- Molecular formula
- C13H12O2S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.05580079
Names & identifiers
- Preferred name
- Benzene, 1-methyl-2-(phenylsulfonyl)-
- IUPAC
- 1-(benzenesulfonyl)-2-methylbenzene
Names & synonyms
1-Methyl-2-(phenylsulfonyl)benzene1-(benzenesulfonyl)-2-methylbenzeneBenzene, 1-methyl-2-(phenylsulfonyl)-26446-74-2Benzene, methyl(phenylsulfonyl)-phenylsulfonyltoluene2-MethyldiphenylsulfoneSCHEMBL1599855SCHEMBL1713160SCHEMBL5144369SCHEMBL10698473SCHEMBL23303730
Show more names
SCHEMBL28252471SCHEMBL28330197SCHEMBL31092469DTXSID80346872UJHQTIAOYSYPHZ-UHFFFAOYSA-N1-Methyl-2-(phenylsulfonyl)benzene #AKOS024339164AE-848/30709001
Database identifiers
- CAS
26446-74-2- PubChem CID
- 616013
- DTXSID
DTXSID80346872- Nikkaji
- J581.375A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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