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    CAS 97963-62-7
    Also known as: 97963-62-7, 5-(difluoromethoxy)-2-mercapto-1h-benzimidazole, 5-(difluoromethoxy)-1h-benzo[d]imidazole-2-thiol, 5-difluoromethoxy-2-mercapto-1h-benzimidazole, 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione, Pantoprazole related compound c
    Molecular Formula
    C8H6F2N2OS
    Molecular Weight
    216.21  g/mol
    InChI Key
    HJMVPNAZPFZXCP-UHFFFAOYSA-N
    FDA UNII
    39P59C89NV
    1 2D Structure

    CAS 97963-62-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
    2.1.2 InChI
    InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)
    2.1.3 InChI Key
    HJMVPNAZPFZXCP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1OC(F)F)NC(=S)N2
    2.2 Other Identifiers
    2.2.1 UNII
    39P59C89NV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 97963-62-7

    2. 5-(difluoromethoxy)-2-mercapto-1h-benzimidazole

    3. 5-(difluoromethoxy)-1h-benzo[d]imidazole-2-thiol

    4. 5-difluoromethoxy-2-mercapto-1h-benzimidazole

    5. 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione

    6. Pantoprazole Related Compound C

    7. 5-difluoromethoxy-2-mercaptobenzimidazole

    8. 2-mercapto-5-difluoromethoxy Benzimidazole

    9. Ska-47

    10. 2h-benzimidazole-2-thione, 5-(difluoromethoxy)-1,3-dihydro-

    11. 5-(difluoromethoxy)-2-mercaptobenzimidazole

    12. 2-mercapto-5-difluoromethoxy-1h-benzimidazole

    13. 5-difluormethoxy-2-mercaepto-1h-benzimidazole

    14. 39p59c89nv

    15. 5-(difluoromethoxy)-1,3-dihydro-2h-benzo[d]imidazole-2-thione

    16. 5-(difluoromethoxy)-2-benzimidazolethiol

    17. 5-difluoromethoxy-2-thio-benzimidazole

    18. 5-(difluoromethoxy)-1h-1,3-benzodiazole-2-thiol

    19. Unii-39p59c89nv

    20. Mfcd00467504

    21. Pantoprazole Related Compound C [usp]

    22. Pantoprazole Related Compound C Rs [usp]

    23. Schembl482378

    24. 5-(difluoromethoxy)-1,3-dihydro-2h-benzimidazole-2-thione

    25. Dtxsid80243352

    26. Pantoprazole Sodium Sesquihydrate Specified Impurity C [ep]

    27. Albb-014405

    28. Amy16522

    29. Zinc3882895

    30. Bbl009927

    31. Stk711091

    32. Akos005174324

    33. Akos028108766

    34. Ac-8364

    35. Cs-w021039

    36. Ps-6955

    37. 5-difluoromethoxy-1h-benzimidazole-2-thiol

    38. 5-difluoromethoxy-1h-benzoimidazole-2-thiol

    39. D3438

    40. Ft-0620359

    41. Ft-0659956

    42. 5-(difluoromethoxy)-1h-benzoimidazole-2-thiol

    43. F11378

    44. 1h-benzimidazole-2-thiol, 5-(difluoromethoxy)-

    45. Pantoprazole Related Compound C [usp-rs]

    46. 6-(difluoromethoxy)-1h-1,3-benzodiazole-2-thiol

    47. 963d627

    48. A845773

    49. Ag-996/31082058

    50. W-204166

    51. Pantoprazole Related Compound C [usp Impurity]

    52. Q27256918

    53. 5-(difluoromethoxy)-2-mercapto-1h-benzimidazole, 97%

    54. 5-(difluoromethoxy)-2,3-dihydro-1h-1,3-benzodiazole-2-thione

    55. 5-[bis(fluoranyl)methoxy]-1,3-dihydrobenzimidazole-2-thione

    56. Pantoprazole Sodium Sesquihydrate Impurity C [ep Impurity]

    57. Pantoprazole Related Compound C, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-09-18
    3 Chemical and Physical Properties
    Molecular Weight 216.21 g/mol
    Molecular Formula C8H6F2N2OS
    XLogP32.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass216.01689032 g/mol
    Monoisotopic Mass216.01689032 g/mol
    Topological Polar Surface Area65.4 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity239
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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