Cas no 56361-22-9 (Naphthalene, 1-[(1E)-2-(phenylsulfonyl)ethenyl]-)

Naphthalene, 1-[(1E)-2-(phenylsulfonyl)ethenyl]- structure
56361-22-9 structure
Product Name:Naphthalene, 1-[(1E)-2-(phenylsulfonyl)ethenyl]-
CAS No:56361-22-9
MF:C18H14O2S
MW:294.367563724518
CID:349094
PubChem ID:70222497
Update Time:2025-04-19

Naphthalene, 1-[(1E)-2-(phenylsulfonyl)ethenyl]- Chemical and Physical Properties

Names and Identifiers

    • Naphthalene, 1-[(1E)-2-(phenylsulfonyl)ethenyl]-
    • 1-[2-(benzenesulfonyl)ethenyl]naphthalene
    • DTXSID00741749
    • 56361-22-9
    • LNLWAVSTANMFIT-UHFFFAOYSA-N
    • [2-(phenylsulfonyl)ethenyl]naphthalene
    • Inchi: 1S/C18H14O2S/c19-21(20,17-10-2-1-3-11-17)14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-14H
    • InChI Key: LNLWAVSTANMFIT-UHFFFAOYSA-N
    • SMILES: S(C=CC1=CC=CC2C=CC=CC1=2)(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 294.07152
  • Monoisotopic Mass: 294.07145086g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 454
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 4.4
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 34.14
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