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    CAS 5535-48-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5535-48-8, (vinylsulfonyl)benzene, Benzene, (ethenylsulfonyl)-, Sulfone, phenyl vinyl, Vinylsulfonylbenzene, Ethenylsulfonylbenzene
    Molecular Formula
    C8H8O2S
    Molecular Weight
    168.21  g/mol
    InChI Key
    UJTPZISIAWDGFF-UHFFFAOYSA-N
    FDA UNII
    31973457VY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethenylsulfonylbenzene
    2.1.2 InChI
    InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
    2.1.3 InChI Key
    UJTPZISIAWDGFF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C=CS(=O)(=O)C1=CC=CC=C1
    2.2 Other Identifiers
    2.2.1 UNII
    31973457VY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pvs Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. 5535-48-8

    2. (vinylsulfonyl)benzene

    3. Benzene, (ethenylsulfonyl)-

    4. Sulfone, Phenyl Vinyl

    5. Vinylsulfonylbenzene

    6. Ethenylsulfonylbenzene

    7. Phenyl Vinyl Sulphone

    8. (ethenylsulfonyl)benzene

    9. Phenyl Vinylsulfone

    10. Ethenesulfonyl-benzene

    11. Mfcd00007554

    12. Chembl165058

    13. Uri 744

    14. Nsc-35394

    15. (ethenesulfonyl)benzene

    16. 31973457vy

    17. Phenylvinylsultone

    18. Phenylvinylsulphone

    19. Unii-31973457vy

    20. Ethenesulfonylbenzene

    21. Santosh-a-5

    22. Einecs 226-890-2

    23. (vinyl Sulfonyl) Benzene

    24. (vinylsulfonyl)benzene #

    25. Phenyl Vinyl Sulfone, 99%

    26. Schembl45672

    27. Ethenyl Phenyl Sulfone

    28. Schembl13341764

    29. Dtxsid50203903

    30. Uri-744

    31. Phenyl Vinyl Sulfone [mi]

    32. Zinc391881

    33. Act02701

    34. Cs-m1815

    35. Nsc35394

    36. Bdbm50125084

    37. Nsc 35394

    38. Stk695234

    39. Dioxo(phenyl)vinyl-lambda~6~-sulfane

    40. Akos005146278

    41. As-17307

    42. Sy019515

    43. (vinylsulfonyl)benzene;sulfone, Phenyl Vinyl

    44. Am20040709

    45. Ft-0602583

    46. P0982

    47. En300-65394

    48. A24646

    49. O10233

    50. 535p488

    51. Q-101907

    52. Q27256031

    53. Z1258992621

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 168.21 g/mol
    Molecular Formula C8H8O2S
    XLogP31
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass168.02450067 g/mol
    Monoisotopic Mass168.02450067 g/mol
    Topological Polar Surface Area42.5 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity217
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1