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3-Piperazinyl-1,2-Benzisothiazole Hydrochloride
Also known as: 87691-88-1, 144010-02-6, 3-piperazinobenzisothiazole hydrochloride, 3-(piperazin-1-yl)benzo[d]isothiazole hydrochloride, 3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride, 3-piperazin-1-yl-benzo[d]isothiazole hydrochloride
Molecular Formula
C11H14ClN3S
Molecular Weight
255.77  g/mol
InChI Key
DOQLJTKEUIJSKK-UHFFFAOYSA-N
FDA UNII
OSY1987N5V

1 2D Structure

3-Piperazinyl-1,2-Benzisothiazole Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-piperazin-1-yl-1,2-benzothiazole;hydrochloride
2.1.2 InChI
InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
2.1.3 InChI Key
DOQLJTKEUIJSKK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1)C2=NSC3=CC=CC=C32.Cl
2.2 Other Identifiers
2.2.1 UNII
OSY1987N5V
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 87691-88-1

2. 144010-02-6

3. 3-piperazinobenzisothiazole Hydrochloride

4. 3-(piperazin-1-yl)benzo[d]isothiazole Hydrochloride

5. 3-(1-piperazinyl)-1,2-benzisothiazole Hydrochloride

6. 3-piperazin-1-yl-benzo[d]isothiazole Hydrochloride

7. 3-(piperazin-1-yl)benzo[d]isothiazole Xhydrochloride

8. Ziprasidone Related Compound A

9. 3-piperazin-1-yl-1,2-benzothiazole;hydrochloride

10. 3-(1-piperazinyl)-1,2-benzisothiazole Monohydrochloride

11. 3-(piperazin-1-yl)-1,2-benzothiazole Hydrochloride

12. 4-(1,2-benzisothiazol-3-yl)piperazine Hydrochloride

13. Osy1987n5v

14. Chembl1204336

15. 1,2-benzisothiazole, 3-(1-piperazinyl)-, Hydrochloride (1:1)

16. 3-piperazinobenzisothiazole

17. Mfcd00674131

18. 1,2-benzisothiazole, 3-(1-piperazinyl)-, Hydrochloride

19. 1,2-benzisothiazole, 3-(1-piperazinyl)-, Monohydrochloride

20. 3-piperazin-1-yl-1,2-benzisothiazole Hydrochloride

21. 3-(piperazin-1-yl)benzo[d]isothiazolexhydrochloride

22. Unii-osy1987n5v

23. Bitp Hcl

24. Ziprasidone Related Compound A Rs [usp]

25. 1,2-benzisothiazole,3-(1-piperazinyl)hcl

26. Ec 421-310-6

27. 3-piperazin-1-yl-1,2-benzothiazole Hydrochloride

28. 3-piperazin-1-yl-1,2-benzothiazole,hydrochloride

29. Mls000718830

30. 1-(1,2-benzisothiazol-3-yl)piperazine Hydrochloride

31. 3-piperazinobenzisothiazole Hcl

32. Schembl1737330

33. Dtxsid30236557

34. Act02169

35. Bcp13330

36. Bcp21339

37. Akos015849232

38. Ac-3233

39. Ds-1121

40. Sb14699

41. 3-piperazinyl-1,2-benzisothiazole, Hcl

42. Ac-26997

43. Smr000291098

44. Sy004864

45. Sy112272

46. Db-015196

47. Db-021567

48. Cs-0097776

49. Ft-0606283

50. Ft-0616361

51. 3-piperazin-1-yl-benzoisothiazole Hydrochloride

52. Ziprasidone Related Compound A [usp-rs]

53. 010p026

54. A808152

55. A862467

56. 1-(1,2-benzisothiazol-3-yl)piperazine Hydrochoride

57. J-513071

58. 3-(1-piperazinyl)-1,2-benzoisothiazole Hydrochloride

59. 3-(piperazin-1-yl)-benzo(d)isothiazole Hydrochloride

60. Q27285821

61. Ziprasidone Related Compound A [usp Impurity]

62. 3-(piperazin-1-yl)benzo[d]isothiazole Monohydrochloride

63. 3-(1-piperazinyl)-1,2-benzisothiazole Hydrochloride (1:1)(ziprasidone Related Compound A)

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 255.77 g/mol
Molecular Formula C11H14ClN3S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass255.0596963 g/mol
Monoisotopic Mass255.0596963 g/mol
Topological Polar Surface Area56.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...
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We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with ...
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We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with ...
We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with a professional approach that is aimed at finest results. We have etched a respectable place in the industry with proven expertise in manufacturing a wide spectrum of products. Vijayasri today is one of the prominent manufacturers of Active Pharmaceutical Ingredients (API) and intermediates. Our excellent Performance in Contract manufacturing over the years has also earned us the status of a trustable name in the pharmaceutical industry.
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