Basic information
- CAS
17494-61-0- Standard SMILES
O=S(=O)(CCCc1ccccc1)c1ccccc1- InChIKey
CQWZXJPKOFUKCS-UHFFFAOYSA-N- Molecular formula
- C15H16O2S
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.08710092
Names & identifiers
- Preferred name
- ((3-Phenylpropyl)sulfonyl)benzene
- IUPAC
- 3-(benzenesulfonyl)propylbenzene
- English name
- 3-Phenylpropylphenyl sulfone
- Molecular formula
- C15H16O2S
- Molecular weight
- 260.35
Names & synonyms
17494-61-0Benzene, ((3-phenylphenyl)sulfonyl)-DTXSID90169913((3-Phenylpropyl)sulfonyl)benzene[(3-phenylpropyl)sulfonyl]benzeneRefChem:1048855DTXCID50924043-(benzenesulfonyl)propylbenzene3-Phenylpropyl phenyl sulfone3-Phenylpropylphenyl sulfonePhenyl 3-phenylpropyl sulfoneDX43QX8GE6
Show more names
(3-Phenylpropyl)phenyl sulfone1-[(3-Phenylpropyl)sulfonyl]benzene
Benzene, ((3-phenylpropyl)sulfonyl)-Benzene, [(3-phenylpropyl)sulfonyl]-NSC-103223NSC 103223BRN 2054431Sulfone, phenyl 3-phenylpropyl[3-(benzenesulfonyl)propyl]benzeneBenzene, ((3-phenylphenyl)sulfonyl)- (9CI)
Database identifiers
- CAS
17494-61-0- PubChem CID
- 97180
- DTXSID
DTXSID90169913- UNII
- DX43QX8GE6
- Nikkaji
- J48.756B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 83 · 83-85 °C
- Boiling point
- 442 · 442.0±28.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- FDA UNII
- 43 QX8GE6 · DX43QX8GE6
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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