Cas no 100257-46-3 (Ethanone,1-[4-(butylsulfonyl)phenyl]-)

Ethanone,1-[4-(butylsulfonyl)phenyl]- structure
100257-46-3 structure
Product Name:Ethanone,1-[4-(butylsulfonyl)phenyl]-
CAS No:100257-46-3
MF:C12H16O3S
MW:240.318642616272
CID:124025
PubChem ID:13816208
Update Time:2025-04-18

Ethanone,1-[4-(butylsulfonyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-[4-(butylsulfonyl)phenyl]-
    • 2-butylsulfonyl-1-phenylethanone
    • 4-BUTYLSULFONYLACETOPHENONE
    • 2-(butane-1-sulfonyl)-1-phenylethan-1-one
    • DTXSID10550425
    • 2,4-difluoroanilsole
    • AKOS013961734
    • 100257-46-3
    • Inchi: 1S/C12H16O3S/c1-2-3-9-16(14,15)10-12(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
    • InChI Key: OBTOQSASKQKGRK-UHFFFAOYSA-N
    • SMILES: S(CC(C1C=CC=CC=1)=O)(CCCC)(=O)=O

Computed Properties

  • Exact Mass: 240.08200
  • Monoisotopic Mass: 240.08201554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 308
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 59.6?2

Experimental Properties

  • PSA: 59.59000
  • LogP: 3.54380
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