Cas no 88430-87-9 (Benzene, 1-methyl-4-[[(phenylmethyl)sulfonyl]methyl]-)

Benzene, 1-methyl-4-[[(phenylmethyl)sulfonyl]methyl]- structure
88430-87-9 structure
Product Name:Benzene, 1-methyl-4-[[(phenylmethyl)sulfonyl]methyl]-
CAS No:88430-87-9
MF:C15H16O2S
MW:260.351343154907
CID:633085
PubChem ID:20137381
Update Time:2025-04-19

Benzene, 1-methyl-4-[[(phenylmethyl)sulfonyl]methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-methyl-4-[[(phenylmethyl)sulfonyl]methyl]-
    • 1-(benzylsulfonylmethyl)-4-methylbenzene
    • 1-Methyl-4-[(phenylmethanesulfonyl)methyl]benzene
    • SCHEMBL9820153
    • p-methylbenzyl benzyl sulfone
    • 88430-87-9
    • DTXSID40602880
    • Inchi: 1S/C15H16O2S/c1-13-7-9-15(10-8-13)12-18(16,17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
    • InChI Key: YJYBSQIBOBGPHM-UHFFFAOYSA-N
    • SMILES: S(CC1C=CC=CC=1)(CC1C=CC(C)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 260.08710092g/mol
  • Monoisotopic Mass: 260.08710092g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 328
  • 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: 3
  • Topological Polar Surface Area: 42.5?2
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