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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

CAS 87691-88-1
1 2D Structure

CAS 87691-88-1

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

BUILDING BLOCK

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Medlab Asia & Asia Health
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Virtual BoothZeon Pharma is a manufacturer and supplier of APIs & Intermediates.

1,2-Benzisothiazole,3-(1-piperazinyl),hydrochlorid...

CAS Number : 144010-02-6

End Use API :

About the Company : Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer of Bulk drugs & Intermediate and also supplies our associate manufacturing plant API / Semi finish formulati...

Zeon Pharma Industries India Pvt Ltd

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Medlab Asia & Asia Health
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Almelo

India
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3-(1-Piperazinyl)-1,2- Benzisothiazole Hydrochlori...

CAS Number : CAS-87691-88-1

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About the Company : Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredients (APIs) and specialty fine chemicals. With a diverse product portfolio coupled ...

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Aventus Labs

India
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3-(1-Piperazinyl)-1,2-benzisothiazole, HCl

CAS Number : 87691-88-1

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About the Company : Aventus Labs is a forward-thinking pharmaceutical company committed to developing and delivering high-quality, effective healthcare solutions. With a focus on rigorous research and adhe...

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3-(1-Ppiperazinyl)1,2-benzisothiazole HCL

CAS Number : 87691-88-1

End Use API :

About the Company : Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediates manufacturing companies in India. Our Plant is Located in Jaggaiahpet APIIC In...

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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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3-Piperazinobenzisothiazole hydrochloride

CAS Number : 144010-02-6

End Use API :

About the Company : LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development T...

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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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3-(1-Piperazinyl)-1,2-benzisothiazole hydrochlor...

CAS Number : 87691-88-1

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About the Company : Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our inception in 1988. Our resources are dedicated to promoting better health throu...

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Medlab Asia & Asia Health
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3-(Carbomoyl methyl)-5- methyl hexanoic acid

CAS Number : 87691-88-1

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About the Company : Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecul...

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