Cas no 18453-46-8 (Benzene, [(S)-methylsulfinyl]-)

Benzene, [(S)-methylsulfinyl]- structure
18453-46-8 structure
Product Name:Benzene, [(S)-methylsulfinyl]-
CAS No:18453-46-8
MF:C7H8OS
MW:140.202820777893
CID:1378263
PubChem ID:11040784
Update Time:2025-04-20

Benzene, [(S)-methylsulfinyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, [(S)-methylsulfinyl]-
    • SCHEMBL3383118
    • (-)-Methyl phenyl sulfoxide
    • [(S)-methylsulfinyl]benzene
    • 18453-46-8
    • (s)-phenyl methyl sulfoxide
    • MFCD17019502
    • SB47828
    • (S)-(Methylsulfinyl)benzene
    • DTXSID70452895
    • IH0
    • (S)-Methyl phenylsulfoxide
    • Inchi： 1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
    • InChI Key： JXTGICXCHWMCPM-VIFPVBQESA-N
    • SMILES： [S@](C)(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 140.02964
  • Monoisotopic Mass: 140.02958605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 36.3?2

Experimental Properties

  • PSA: 17.07

Benzene, [(S)-methylsulfinyl]- Pricemore >>

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