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    4-Amino-5-Chloro-2,1,3-Benzothiadiazole

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 30536-19-7, 5-chloro-2,1,3-benzothiadiazol-4-amine, 5-chlorobenzo[c][1,2,5]thiadiazol-4-amine, 2,1,3-benzothiadiazol-4-amine, 5-chloro-, 5-chloro-benzo[1,2,5]thiadiazol-4-ylamine, 4-amino-5-chloropiazthiole
    Molecular Formula
    C6H4ClN3S
    Molecular Weight
    185.64  g/mol
    InChI Key
    MURNIACGGUSMAP-UHFFFAOYSA-N
    FDA UNII
    U6QN8431MF
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-2,1,3-benzothiadiazol-4-amine
    2.1.2 InChI
    InChI=1S/C6H4ClN3S/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2
    2.1.3 InChI Key
    MURNIACGGUSMAP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=NSN=C2C(=C1Cl)N
    2.2 Other Identifiers
    2.2.1 UNII
    U6QN8431MF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 30536-19-7

    2. 5-chloro-2,1,3-benzothiadiazol-4-amine

    3. 5-chlorobenzo[c][1,2,5]thiadiazol-4-amine

    4. 2,1,3-benzothiadiazol-4-amine, 5-chloro-

    5. 5-chloro-benzo[1,2,5]thiadiazol-4-ylamine

    6. 4-amino-5-chloropiazthiole

    7. Tizanidine Related Compound A

    8. U6qn8431mf

    9. 5-chloro-2,1,3-benzothiadiazol-4-amine (4-amino-5-chloro-2,1,3-benzothiadiazole)

    10. Tizanidine Impurity A

    11. Unii-u6qn8431mf

    12. Tizanidine Related Compound A [usp]

    13. Tizanidine Related Compound A Rs [usp]

    14. Oprea1_447513

    15. Schembl2208698

    16. Dtxsid80184610

    17. Zinc254834

    18. Albb-010480

    19. 4-amino-5-chloro-2,1,3-benzoth

    20. Mfcd00465908

    21. Stk397705

    22. Akos000108011

    23. As-31823

    24. 5-chloro-4-amino-2,1,3-benzothiadiazole

    25. 5-chlorobenzo[1,2,5]thiadiazol-4-ylamine

    26. Db-011277

    27. Am20040139

    28. Bb 0244893

    29. Cs-0199395

    30. Eu-0033553

    31. Ft-0638927

    32. En300-91514

    33. Tizanidine Related Compound A [usp-rs]

    34. 536a197

    35. A876155

    36. Sr-01000390058

    37. J-018002

    38. Sr-01000390058-1

    39. Tizanidine Related Compound A [usp Impurity]

    40. 5-chloro-2,1,3-benzothiadiazol-4-amine, Aldrichcpr

    41. Q27290761

    42. Tizanidine Hydrochloride Impurity E [ep Impurity]

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 185.64 g/mol
    Molecular Formula C6H4ClN3S
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass184.9814460 g/mol
    Monoisotopic Mass184.9814460 g/mol
    Topological Polar Surface Area80 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity157
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1