Cas no 2843-92-7 (Benzene, [(ethylsulfinyl)methyl]-)

Benzene, [(ethylsulfinyl)methyl]- structure
2843-92-7 structure
Product Name:Benzene, [(ethylsulfinyl)methyl]-
CAS No:2843-92-7
MF:C9H12OS
MW:168.255981445313
CID:1434810
PubChem ID:12293074
Update Time:2025-04-20

Benzene, [(ethylsulfinyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, [(ethylsulfinyl)methyl]-
    • ethylsulfinylmethylbenzene
    • Ethanesulfinylmethyl-benzene
    • DTXSID30485184
    • 2843-92-7
    • benzyl ethyl sulfoxide
    • SCHEMBL777260
    • Inchi: 1S/C9H12OS/c1-2-11(10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
    • InChI Key: KCXODFMHDFXFSV-UHFFFAOYSA-N
    • SMILES: S(CC)(CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 168.06096
  • Monoisotopic Mass: 168.06088618g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 128
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 36.3?2

Experimental Properties

  • PSA: 17.07
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