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    Technical details about CAS 26447-85-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 26447-85-8

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    2D Structure
    Also known as: 26447-85-8, Methyl 2,2-dithienyl glycolate, Methyl 2-hydroxy-2,2-di(thiophen-2-yl)acetate, Methyl 2-hydroxy-2,2-dithiophen-2-ylacetate, Methyl di(2-thienylglycolate), Methyl hydroxy(di-2-thienyl)acetate
    Molecular Formula
    C11H10O3S2
    Molecular Weight
    254.3  g/mol
    InChI Key
    SYHWYWHVEQQDMO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-hydroxy-2,2-dithiophen-2-ylacetate
    2.1.2 InChI
    InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3
    2.1.3 InChI Key
    SYHWYWHVEQQDMO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C1=CC=CS1)(C2=CC=CS2)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 26447-85-8

    2. Methyl 2,2-dithienyl Glycolate

    3. Methyl 2-hydroxy-2,2-di(thiophen-2-yl)acetate

    4. Methyl 2-hydroxy-2,2-dithiophen-2-ylacetate

    5. Methyl Di(2-thienylglycolate)

    6. Methyl Hydroxy(di-2-thienyl)acetate

    7. Methyl 2-hydroxy-2,2-di(2-thienyl)acetate

    8. Mfcd08458380

    9. Methyl Di(2-thienyl)glycolate

    10. 2-thiopheneacetic Acid, Alpha-hydroxy-alpha-2-thienyl-, Methyl Ester

    11. Hydroxy-di-thiophen-2-yl-acetic Acid Methyl Ester

    12. Methyl Di(2-thienyl) Glycolate

    13. Ac-607

    14. Tiotropium Ep Impurity E

    15. Ec 607-936-4

    16. Methyl 2-hydroxy-2,2-bis(thiophen-2-yl)acetate

    17. Schembl826276

    18. Methyl Di-(2-thienyl)glycolate

    19. Methyl-2,2-dithienyl Glycolate

    20. Dtxsid10465166

    21. Act04264

    22. Bcp12268

    23. Zinc21985909

    24. Methyl Hydroxy[di(2-thienyl)]acetate

    25. Akos015850983

    26. Cs-w020702

    27. Gs-3211

    28. Sy021325

    29. Hydroxydithien-2-ylacetic Acid Methyl Ester

    30. Ft-0645043

    31. 2,2-di(2-thienyl)glycolic Acid Methyl Ester

    32. Methyl2-hydroxy-2,2-di(thiophen-2-yl)acetate

    33. Methyl 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

    34. 447m858

    35. A818447

    36. 2-hydroxy-2,2-dithien-2-ylacetic Acid Methyl Ester

    37. J-016429

    38. J-521885

    39. 2-hydroxy-2,2-bis(2-thienyl)acetic Acid Methyl Ester

    40. 2-hydroxy-2,2-dithiophen-2-ylacetic Acid Methyl Ester

    41. 2-thiopheneacetic Acid, .alpha.-hydroxy-.alpha.-2-thienyl-, Methyl Ester

    42. Methyl Di(2-thienylglycolate); Methyl 2-hydroxy-2,2-dithiophen-2-ylacetate; Hydroxydithien-2-ylacetic Acid Methyl Ester; ?-hydroxy-?-2-thienyl-2-thiopheneacetic Acid Methyl Ester; Di-2-thienyl-glycolic Acid Methyl Ester

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 254.3 g/mol
    Molecular Formula C11H10O3S2
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass254.00713652 g/mol
    Monoisotopic Mass254.00713652 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity254
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1