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    Technical details about CAS 37052-78-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 37052-78-1

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    2D Structure
    Also known as: 37052-78-1, 2-mercapto-5-methoxybenzimidazole, 5-methoxy-1h-benzo[d]imidazole-2-thiol, 5-methoxy-2-benzimidazolethiol, 5-methoxy-1h-benzimidazole-2-thiol, 5-methoxy-1,3-dihydrobenzimidazole-2-thione
    Molecular Formula
    C8H8N2OS
    Molecular Weight
    180.23  g/mol
    InChI Key
    KOFBRZWVWJCLGM-UHFFFAOYSA-N
    FDA UNII
    143562LXX0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-methoxy-1,3-dihydrobenzimidazole-2-thione
    2.1.2 InChI
    InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
    2.1.3 InChI Key
    KOFBRZWVWJCLGM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=C1)NC(=S)N2
    2.2 Other Identifiers
    2.2.1 UNII
    143562LXX0
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 37052-78-1

    2. 2-mercapto-5-methoxybenzimidazole

    3. 5-methoxy-1h-benzo[d]imidazole-2-thiol

    4. 5-methoxy-2-benzimidazolethiol

    5. 5-methoxy-1h-benzimidazole-2-thiol

    6. 5-methoxy-1,3-dihydrobenzimidazole-2-thione

    7. 1,3-dihydro-5-methoxy-2h-benzimidazole-2-thione

    8. 5-methoxy-1h-1,3-benzodiazole-2-thiol

    9. 2h-benzimidazole-2-thione, 1,3-dihydro-5-methoxy-

    10. 2-mercapto-5-methoxy-1h-benzimidazole

    11. Mfcd00134581

    12. 5-methoxy-1h-benzoimidazole-2-thiol

    13. Omeprazole Related Compound B

    14. 143562lxx0

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

    16. 5-methoxy-1h-benzo[d]imidazole-2-thiol;5-methoxy-2-mercaptobenzimidazole

    17. 5-methoxy-1h-benzo(d)imidazole-2(3h)-thione

    18. Unii-143562lxx0

    19. Einecs 253-326-2

    20. Omeprazole Impurity A

    21. Maybridge1_006266

    22. Ec 253-326-2

    23. 5-methoxy-1,3-dihydro-2h-benzimidazole-2-thione

    24. 5-methoxy-2benzimidazolethiol

    25. Mls000083176

    26. 5-methoxy-2-benzimidazolthiol

    27. Schembl916531

    28. Chembl1509639

    29. Schembl16198394

    30. Hms559e18

    31. 2-mercapto-5-methoxy-1h-benzim

    32. 6-methoxy-2-mercaptobenzimidazole

    33. Dtxsid20190558

    34. 2-mercpato-5-methoxy Benzimdazole

    35. 2-mercapto-5-methoxybenzoimidazole

    36. Hms2298p11

    37. Zinc389869

    38. 2-mercapto-5-methoxy Benzimidazole

    39. Act07817

    40. Albb-004065

    41. Bcp04509

    42. 5 -methoxy-2 -mercaptobenzimidazole

    43. Ccg-42938

    44. Stk506487

    45. Stk802141

    46. 6-methoxy-1h-benzoimidazole-2-thiol

    47. 5-methoxy-2-benzimidazolethiol, 99%

    48. Akos000120845

    49. Akos002657565

    50. Akos023552903

    51. 5-methoxy-(1h)-benzimidazole-2-thiol

    52. 5-methoxy-2-mercapto-1h-benzimidazole

    53. Ab03750

    54. Ac-6273

    55. Ccg-339969

    56. Cs-w008378

    57. Hy-w008378

    58. Ps-6231

    59. Smr000046769

    60. Sy018610

    61. 5-methoxy-2-thio-1h-benzimidazole

    62. 5-methoxybenzo[d]imidazole-2-thiol

    63. Db-013211

    64. Omeprazole Impurity A [ep Impurity]

    65. 5-methoxy-1h-benzimidazol-2-yl Hydrosulfide

    66. 5-methoxy-2-thiohydroxy Benzimidazole

    67. A6375

    68. Am20040306

    69. Bb 0240770

    70. Ft-0612746

    71. M1256

    72. Omeprazole Related Compound B [usp-rs]

    73. 052m781

    74. An-829/05700007

    75. Sr-01000534899

    76. Sr-01000534899-1

    77. Sr-01000534899-3

    78. W-202531

    79. Omeprazole Magnesium Impurity A [ep Impurity]

    80. Q27251572

    81. Z221604426

    82. Ethyl3-[(1h-pyrrole-2-carbonyl)-amino]propionate

    83. Omeprazole Related Compound B, United States Pharmacopeia (usp) Reference Standard

    84. 5-methoxy-2- Benzimidazolethiol (omeprazole Related Compound B), Pharmaceutical??secondary??standard;??certified??reference??material

    2.4 Create Date
    2005-06-29
    3 Chemical and Physical Properties
    Molecular Weight 180.23 g/mol
    Molecular Formula C8H8N2OS
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass180.03573406 g/mol
    Monoisotopic Mass180.03573406 g/mol
    Topological Polar Surface Area65.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity198
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1