Cas no 921765-49-3 (1-[4-(4-Methylbenzene-1-sulfinyl)phenyl]ethan-1-one)

1-[4-(4-Methylbenzene-1-sulfinyl)phenyl]ethan-1-one structure
921765-49-3 structure
Product Name:1-[4-(4-Methylbenzene-1-sulfinyl)phenyl]ethan-1-one
CAS No:921765-49-3
MF:C15H14O2S
MW:258.335463047028
CID:754330
Update Time:2023-08-03

1-[4-(4-Methylbenzene-1-sulfinyl)phenyl]ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[4-[(4-methylphenyl)sulfinyl]phenyl]-
    • 1-[4-(4-methylphenyl)sulfinylphenyl]ethanone
    • 4-Acetylphenyl 4-methylphenyl sulfoxide
    • 1-[4-(4-Methylbenzene-1-sulfinyl)phenyl]ethan-1-one
    • Inchi: 1S/C15H14O2S/c1-11-3-7-14(8-4-11)18(17)15-9-5-13(6-10-15)12(2)16/h3-10H,1-2H3
    • InChI Key: UQFMGLZPLSCMCR-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(C1C=CC(C(C)=O)=CC=1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 311
  • XLogP3: 2.9
  • Topological Polar Surface Area: 53.4

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