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    Technical details about CAS 106092-09-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 106092-09-5

    BUILDING BLOCK

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    2D Structure
    Also known as: 106092-09-5, (s)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (6s)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, (s)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine, (s)-n-despropyl pramipexole, Pramipexole related compound a
    Molecular Formula
    C7H11N3S
    Molecular Weight
    169.25  g/mol
    InChI Key
    DRRYZHHKWSHHFT-BYPYZUCNSA-N
    FDA UNII
    J4N3Y41JML
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
    2.1.2 InChI
    InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)/t4-/m0/s1
    2.1.3 InChI Key
    DRRYZHHKWSHHFT-BYPYZUCNSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(CC1N)SC(=N2)N
    2.1.5 Isomeric SMILES
    C1CC2=C(C[C@H]1N)SC(=N2)N
    2.2 Other Identifiers
    2.2.1 UNII
    J4N3Y41JML
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 106092-09-5

    2. (s)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    3. (6s)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

    4. (s)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine

    5. (s)-n-despropyl Pramipexole

    6. Pramipexole Related Compound A

    7. (s)-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine

    8. (6s)-4,5,6,7-tetrahydro-1,3-benzothiazol-2,6-diamine

    9. S-(-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    10. 2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (s)-

    11. (s)-(-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    12. J4n3y41jml

    13. 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, (6s)-

    14. (s)-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine

    15. 2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (-)-

    16. 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, (s)-

    17. (-)-(6s)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    18. Unii-j4n3y41jml

    19. Mfcd07368003

    20. Pramipexole Related Compound A [usp]

    21. Pramipexole Related Compound A Rs [usp]

    22. Pramipexole Intermediates

    23. Ec 600-715-3

    24. Schembl306889

    25. ( Inverted Exclamation Marka)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    26. Chembl1192854

    27. Dtxsid00893656

    28. Act07187

    29. Pramipexole Dihydrochloride Monohydrate Specified Impurity A [ep]

    30. Zinc12650535

    31. Akos005258071

    32. Ac-1609

    33. Cs-w003372

    34. 112gi015

    35. Ds-10467

    36. D4337

    37. Pramipexole Related Compound A [usp-rs]

    38. S-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    39. 4,5,6,7-tetrahydrobenzothiazole-2,6alpha-diamine

    40. 617t494

    41. (6s)2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

    42. (s)-2,6-diamino-4,5,6,7-tetrahvdro Benzothiazole

    43. (s)-2,6-diamino-4,5,6,7-tetrahydro Benzothiazole

    44. (6s)-2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

    45. Pramipexole Related Compound A [usp Impurity]

    46. Q27281199

    47. (-)-(6s)-2,6-diamino-4,5,6-tetrahydrobenzothiazole

    48. (s)-(?)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    49. (6s)-(-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    50. (s)-(-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, 97%

    51. (s)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine, Aldrichcpr

    52. (-)-(6s)-2,6-diamino-4,5,6,7-tetrahydro Benzothiazole

    53. Pramipexole Dihydrochloride Monohydrate Impurity A [ep Impurity]

    54. Pramipexole Related Compound A, United States Pharmacopeia (usp) Reference Standard

    55. (s)-4,5,6,7-tetrahydrobenzo Thiazole-2,6-diamine (pramipexole Related Compound A), Pharmaceutical Secondary Standard; Certified Reference Material

    56. (s)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine;(s)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 169.25 g/mol
    Molecular Formula C7H11N3S
    XLogP30.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass169.06736854 g/mol
    Monoisotopic Mass169.06736854 g/mol
    Topological Polar Surface Area93.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity153
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1