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    Technical details about CAS 2818-66-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 2818-66-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2818-66-8, 5-amino-2-benzimidazolethiol, 5-amino-1,3-dihydrobenzimidazole-2-thione, 5-amino-1h-benzo[d]imidazole-2-thiol, 2h-benzimidazole-2-thione, 5-amino-1,3-dihydro-, 5-amino-1h-benzimidazole-2-thiol
    Molecular Formula
    C7H7N3S
    Molecular Weight
    165.22  g/mol
    InChI Key
    BXDMTLVCACMNJO-UHFFFAOYSA-N
    FDA UNII
    98S1PF37NB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-1,3-dihydrobenzimidazole-2-thione
    2.1.2 InChI
    InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
    2.1.3 InChI Key
    BXDMTLVCACMNJO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1N)NC(=S)N2
    2.2 Other Identifiers
    2.2.1 UNII
    98S1PF37NB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2818-66-8

    2. 5-amino-2-benzimidazolethiol

    3. 5-amino-1,3-dihydrobenzimidazole-2-thione

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

    5. 2h-benzimidazole-2-thione, 5-amino-1,3-dihydro-

    6. 5-amino-1h-benzimidazole-2-thiol

    7. 2-benzimidazolethiol, 5-amino-

    8. 5-amino-1h-benzoimidazole-2-thiol

    9. Mls002637722

    10. 98s1pf37nb

    11. 6-amino-2-mercaptobenzimidazole

    12. Nsc-3984

    13. 5-aminobenzimidazole-2-thiol

    14. 5-amino-1,3-dihydro-2h-benzimidazole-2-thione

    15. 5-amino-1h-benzo(d)imidazole-2-thiol

    16. 5-amino-1h-1,3-benzodiazole-2-thiol

    17. 5-amino-2-mercapto Benzimidazole

    18. Nsc3984

    19. 6-amino-1h-benzimidazole-2-thiol

    20. Nsc 3984

    21. Einecs 220-574-8

    22. Mfcd00022671

    23. 5-amino-2-benzimidazolthiol

    24. Unii-98s1pf37nb

    25. Schembl172884

    26. 5-amino-2-sulfanylbenzimidazole

    27. Chembl1708656

    28. Dtxsid3062651

    29. Schembl16274672

    30. 5-amino-2-mercaptobenzoimidazole

    31. Bxdmtlvcacmnjo-uhfffaoysa-

    32. 6-amino-1h-benzimidazol-2-thiol

    33. Hms3078k03

    34. Zinc8581373

    35. Stl507219

    36. Akos000113234

    37. Akos005203108

    38. Akos023135097

    39. 5-amino-2-mercaptobenzimidazole, 96%

    40. Ac-8150

    41. As-35838

    42. Smr001547244

    43. Db-047351

    44. 5-amino-1h-benzo[d]imidazole-2(3h)-thione

    45. Am20040084

    46. Cs-0127298

    47. Ft-0619958

    48. 2-benzimidazolethiol, 5(or 6)-amino-

    49. 2-mercapto-1h-benzo(d)imidazol-5-amine

    50. J-016998

    51. J-516653

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 165.22 g/mol
    Molecular Formula C7H7N3S
    XLogP31
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass165.03606841 g/mol
    Monoisotopic Mass165.03606841 g/mol
    Topological Polar Surface Area82.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity183
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1