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    CAS 6746-81-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6746-81-2, Glycidyl tosylate, Glycidyl 4-toluenesulfonate, Toluene-4-sulfonic acid oxiranylmethyl ester, (oxiran-2-yl)methyl 4-methylbenzene-1-sulfonate, Qt428577jz
    Molecular Formula
    C10H12O4S
    Molecular Weight
    228.27  g/mol
    InChI Key
    NOQXXYIGRPAZJC-UHFFFAOYSA-N
    FDA UNII
    QT428577JZ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    oxiran-2-ylmethyl 4-methylbenzenesulfonate
    2.1.2 InChI
    InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3
    2.1.3 InChI Key
    NOQXXYIGRPAZJC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OCC2CO2
    2.2 Other Identifiers
    2.2.1 UNII
    QT428577JZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (2r)-glycidyl Tosylate

    2. (2s)-glycidyl Tosylate

    3. Glycidyl Tosylate

    2.3.2 Depositor-Supplied Synonyms

    1. 6746-81-2

    2. Glycidyl Tosylate

    3. Glycidyl 4-toluenesulfonate

    4. Toluene-4-sulfonic Acid Oxiranylmethyl Ester

    5. (oxiran-2-yl)methyl 4-methylbenzene-1-sulfonate

    6. Qt428577jz

    7. Nsc-143322

    8. Oxiranemethanol, 4-methylbenzenesulfonate

    9. Glycidyl Tosylate Oxiran-2-ylmethyl-4-methylbenzenesulfonate

    10. (2r)-(-)-glycidyltosylate

    11. 4-methylbenzenesulfonic Acid 2-oxiranylmethyl Ester

    12. 2-oxiranylmethyl 4-methylbenzenesulfonate

    13. Mfcd00010834

    14. Nsc636971

    15. 2-oxiranylmethyl 4-methylbenzenesulfonate #

    16. Oxiran-2-ylmethyl4-methylbenzenesulfonate

    17. (+/-)-glycidyl Tosylate

    18. 2-oxiranemethanol,2-(4-methylbenzenesulfonate)

    19. Schembl439063

    20. Unii-qt428577jz

    21. (s)-2,3-epoxy-1-propyl P-toluenesulfonate

    22. 2,3-epoxypropyl Tosylate

    23. Dtxsid40867977

    24. Glycidol P-toluenesulfonate

    25. Act05640

    26. Ab1463

    27. Mfcd00066850

    28. Nsc143322

    29. P-toluenesulfonic Acid Glycidyl Ester

    30. Glycidyl Tosylate, (+/-)-

    31. Akos015892751

    32. Nsc 143322

    33. Sb38241

    34. Sy017230

    35. Db-010809

    36. Db-029868

    37. 1-propanol, 2,3-epoxy-, P-toluenesulfonate

    38. Cs-0187599

    39. Ft-0601497

    40. Ft-0605069

    41. Ft-0658535

    42. Oxiran-2-ylmethyl 4-methylbenzene-1-sulfonate

    43. 2,3-epoxy-1-propyl P-toluenesulfonate

    44. (2s)-oxiran-2-ylmethyl 4-methylbenzenesulphonate

    45. A803099

    46. A835758

    47. 2-oxiranemethanol, 2-(4-methylbenzenesulfonate)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 228.27 g/mol
    Molecular Formula C10H12O4S
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass228.04563003 g/mol
    Monoisotopic Mass228.04563003 g/mol
    Topological Polar Surface Area64.3 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity298
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1