1-(Benzenesulfonyl)-4-propan-2-ylbenzene
Basic information
- CAS
5460-67-3- Standard SMILES
CC(C)c1ccc(S(=O)(=O)c2ccccc2)cc1- InChIKey
WTBMTOOIUSLWMT-UHFFFAOYSA-N- Molecular formula
- C15H16O2S
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.08710092
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-4-propan-2-ylbenzene
- IUPAC
- 1-(benzenesulfonyl)-4-propan-2-ylbenzene
Names & synonyms
1-(benzenesulfonyl)-4-propan-2-ylbenzene5460-67-3NSC188651-(phenylsulfonyl)-4-propan-2-ylbenzeneSCHEMBL4616465DTXSID20280827WTBMTOOIUSLWMT-UHFFFAOYSA-NNSC-188651-isopropyl-4-(phenylsulfonyl)benzene1-(Benzenesulfonyl)-4-(propan-2-yl)benzene
Database identifiers
- CAS
5460-67-3- PubChem CID
- 227322
- DTXSID
DTXSID20280827
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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