Basic information
- CAS
19164-78-4- Standard SMILES
CCc1cccc(S(=O)(=O)c2ccccc2)c1- InChIKey
ZVOLXCPAWFKFCU-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145086
Names & identifiers
- Preferred name
- Benzene, 1-ethyl-3-(phenylsulfonyl)-
- IUPAC
- 1-(benzenesulfonyl)-3-ethylbenzene
Names & synonyms
benzene, 1-ethyl-3-(phenylsulfonyl)-1-ethyl-3-(phenylsulfonyl)benzene19164-78-4DTXSID00348818RefChem:323726DTXCID40299890InChI=1/C14H14O2S/c1-2-12-7-6-10-14(11-12)17(15,16)13-8-4-3-5-9-13/h3-11H,2H2,1H1-(benzenesulfonyl)-3-ethylbenzeneSCHEMBL10180577
Database identifiers
- CAS
19164-78-4- PubChem CID
- 640909
- DTXSID
DTXSID00348818
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
- 17
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…