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Also known as: 104617-49-4, 4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine, 106006-83-1, 4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, Mfcd07771983
Molecular Formula
C7H11N3S
Molecular Weight
169.25  g/mol
InChI Key
DRRYZHHKWSHHFT-UHFFFAOYSA-N

CAS 104617-49-4
1 2D Structure

CAS 104617-49-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
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)
2.1.3 InChI Key
DRRYZHHKWSHHFT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(CC1N)SC(=N2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 104617-49-4

2. 4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine

3. 106006-83-1

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

5. 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-

6. Mfcd07771983

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

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

9. Mfcd07368003

10. Mfcd07369986

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

12. 4,5,6,7-tetrahydro-2,6-benzothiazolediamine

13. Pramipexole Impurity 42

14. 2,6-diamino-4,5,6,7-tetrahydro-benzthiazole

15. 4,5,6,7-tetrahydro-2,6-benzothiazole Diamine

16. Schembl306888

17. Dtxsid60909060

18. Act02327

19. Act03825

20. ( Inverted Exclamation Marka)-2,6-diamino-4,5,6,7- Tetrahydrobenzothiazole

21. Akos000138066

22. Ac-5319

23. Sb17766

24. Sb21609

25. 112gi014

26. As-12934

27. Sy007512

28. Sy020516

29. Sy021991

30. Db-005879

31. Db-013674

32. Cs-0037494

33. Ft-0601674

34. Ft-0602641

35. Ft-0630313

36. 2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

37. 2,6-diamino-4,5,6,7-tetrahydro Benzothiazole

38. 2,6-diamino-4,5,6,7-tetrahydro-benzothiazole

39. 2,6-diamino- 4,5,6,7-tetrahydro-benzthiazole

40. 617d494

41. A801018

42. A855332

43. (r)-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine

44. J-500030

45. J-502460

46. J-507394

47. Q-200203

48. 2,6-diamino-4,5,6,7-tetrahydro-1,3-benzothiazole

49. Racemic 2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

50. Racemic 2,6-diamino-4,5,6,7-tetrahydro Benzothiazole

51. 2,6-diamino-4,5,6,7-tetrahydrobenzo[d]thiazole

52. 2-imino-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-6-amine

53. (+/-)-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine

2.3 Create Date
2006-10-25
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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