Cas no 30166-88-2 (Benzene,1-methyl-4-[(1E)-2-(phenylsulfonyl)ethenyl]-)

Benzene,1-methyl-4-[(1E)-2-(phenylsulfonyl)ethenyl]- structure
30166-88-2 structure
Product Name:Benzene,1-methyl-4-[(1E)-2-(phenylsulfonyl)ethenyl]-
CAS No:30166-88-2
MF:C15H14O2S
MW:258.335463047028
CID:310076
PubChem ID:5382411
Update Time:2025-04-19

Benzene,1-methyl-4-[(1E)-2-(phenylsulfonyl)ethenyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-methyl-4-[(1E)-2-(phenylsulfonyl)ethenyl]-
    • 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-methylbenzene
    • (E)-1-(phenylsulfonyl)-2-p-tolylethene
    • (E)-1-methyl-4-(2-(phenylsulfonyl)vinyl)benzene
    • (E)-1-methyl-4-[2-(phenylsulfonyl)vinyl]benzene
    • (E)-2-(4-methylphenyl)ethenyl phenyl sulfone
    • 1-phenylsulfonyl-2-(4'-methylphenyl)ethene
    • AC1NTJI4
    • E-2-(4'-tolyl)-1-(phenylsulfonyl)ethene
    • NSC140160
    • NSC-140160
    • 30166-88-2
    • Inchi: 1S/C15H14O2S/c1-13-7-9-14(10-8-13)11-12-18(16,17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
    • InChI Key: RBZQTVKSCWMGMH-VAWYXSNFSA-N
    • SMILES: S(/C=C/C1C=CC(C)=CC=1)(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 258.07100
  • Monoisotopic Mass: 258.07145
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 364
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.5
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.194
  • Boiling Point: 450.7°Cat760mmHg
  • Flash Point: 281.1°C
  • Refractive Index: 1.6
  • PSA: 42.52000
  • LogP: 4.52040
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