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    Technical details about CAS 6325-91-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 6325-91-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6325-91-3, 5-nitro-2-benzimidazolethiol, 5-nitro-2-mercaptobenzimidazole, 5-nitro-1h-benzo[d]imidazole-2-thiol, 2-benzimidazolethiol, 5-nitro-, 2h-benzimidazole-2-thione, 1,3-dihydro-5-nitro-
    Molecular Formula
    C7H5N3O2S
    Molecular Weight
    195.20  g/mol
    InChI Key
    YPXQSGWOGQPLQO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-nitro-1,3-dihydrobenzimidazole-2-thione
    2.1.2 InChI
    InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)
    2.1.3 InChI Key
    YPXQSGWOGQPLQO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1[N+](=O)[O-])NC(=S)N2
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 5-nitro-2-mercaptobenzimidazole

    2.2.2 Depositor-Supplied Synonyms

    1. 6325-91-3

    2. 5-nitro-2-benzimidazolethiol

    3. 5-nitro-2-mercaptobenzimidazole

    4. 5-nitro-1h-benzo[d]imidazole-2-thiol

    5. 2-benzimidazolethiol, 5-nitro-

    6. 2h-benzimidazole-2-thione, 1,3-dihydro-5-nitro-

    7. 2-benzimidazolinethione, 5-nitro-

    8. 5-nitro-1,3-dihydrobenzimidazole-2-thione

    9. 6-nitro-1h-benzimidazole-2-thiol

    10. Mls002639388

    11. 5-nitro-1h-benzimidazole-2-thiol

    12. 5-nitro-2-sulphanyl-1h-benzimidazole

    13. 2-thione

    14. Mfcd00804727

    15. Nsc 31137

    16. 5-nitro-1,3-dihydro-benzoimidazole-

    17. 5-nitro-3-hydrobenzimidazole-2-thione

    18. Oprea1_044883

    19. Oprea1_137907

    20. Oprea1_746313

    21. Schembl594032

    22. Chembl1726268

    23. Dtxsid7064235

    24. 5-nitro-1h-benzoimidazol-2-thiol

    25. Hms3079p08

    26. Amy42084

    27. Nsc31137

    28. Zinc5124323

    29. Nsc-31137

    30. Stk281962

    31. Akos000116381

    32. Akos001584995

    33. Akos015898399

    34. 2-mercapto-5-nitrobenzimidazole, 97%

    35. Ac-8149

    36. 6-nitro-1h-1,3-benzodiazole-2-thiol

    37. Ps-10567

    38. Smr001548833

    39. Db-054443

    40. 5-nitro-1h-benzo[d]imidazole-2(3h)-thione

    41. Eu-0000851

    42. Ft-0612749

    43. M1325

    44. 6-nitro-1h-benzo[d]imidazole-2-thiol

    45. En300-03266

    46. 2h-benzimidazole-2-thione,3-dihydro-5-nitro-

    47. W11167

    48. 5-nitro-2,3-dihydro-1h-benzimidazole-2-thione

    49. A834300

    50. Sr-01000394332

    51. 5-nitro-1,3-dihydro-2h-benzimidazole-2-thione #

    52. Sr-01000394332-1

    53. W-203353

    54. Z56877848

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 195.20 g/mol
    Molecular Formula C7H5N3O2S
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass195.01024758 g/mol
    Monoisotopic Mass195.01024758 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity253
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1