Cas no 17530-89-1 (Ethanone, 2-[(4-methylphenyl)sulfinyl]-1-phenyl-)

Ethanone, 2-[(4-methylphenyl)sulfinyl]-1-phenyl- structure
17530-89-1 structure
Product Name:Ethanone, 2-[(4-methylphenyl)sulfinyl]-1-phenyl-
CAS No:17530-89-1
MF:C15H14O2S
MW:258.335463047028
CID:1361239
PubChem ID:11184483
Update Time:2025-04-20

Ethanone, 2-[(4-methylphenyl)sulfinyl]-1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 2-[(4-methylphenyl)sulfinyl]-1-phenyl-
    • 2-(4-methylphenyl)sulfinyl-1-phenylethanone
    • (+)-(r)-a-(p-tolylsulfinyl)-acetophenone
    • 17530-89-1
    • AKOS013962462
    • DTXSID30458050
    • 2-[(4-methylphenyl)sulfinyl]-1-phenylethanone
    • Inchi: 1S/C15H14O2S/c1-12-7-9-14(10-8-12)18(17)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
    • InChI Key: JQIQTCZCJCVZOX-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(CC(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 258.07152
  • Monoisotopic Mass: 258.07145086g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 300
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 53.4?2

Experimental Properties

  • PSA: 34.14
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