1,3-Dimethyl-2-[2-(phenylsulfonyl)cyclopropyl]benzene
Basic information
- CAS
21309-13-7- Standard SMILES
Cc1cccc(C)c1C1CC1S(=O)(=O)c1ccccc1- InChIKey
SZWDPAYFHCXNKT-UHFFFAOYSA-N- Molecular formula
- C17H18O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.10275099
Names & identifiers
- Preferred name
- 1,3-Dimethyl-2-[2-(phenylsulfonyl)cyclopropyl]benzene
- IUPAC
- 2-[2-(benzenesulfonyl)cyclopropyl]-1,3-dimethylbenzene
Names & synonyms
21309-13-71,3-dimethyl-2-[2-(phenylsulfonyl)cyclopropyl]benzeneNSC1402382-[2-(benzenesulfonyl)cyclopropyl]-1,3-dimethylbenzeneDTXSID20300973Sulfone,6-xylyl)cyclopropyl, trans-NSC-140238DS-0127962-[2-(benzenesulfonyl)cyclopropyl]-1,3-dimethyl-benzene
Database identifiers
- CAS
21309-13-7- PubChem CID
- 284422
- DTXSID
DTXSID20300973
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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