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Overview of CAS 104617-49-4

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4CH-013214
PharmaCompass
  • Chemistry
4CH-013214
Also known as: 104617-49-4, 2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, 4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine, 106006-83-1, 4,5,6,7-tetrahydro-2,6-benzothiazolediamine, 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-
Molecular Formula
C7H11N3S
Molecular Weight
169.246  g/mol
InChI Key
DRRYZHHKWSHHFT-UHFFFAOYSA-N

1 2D Structure

4CH-013214

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

3. 4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine

4. 106006-83-1

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

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

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

8. 2,6-diamino-4,5,6,7-tetrahydrobenzo[d]thiazole

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

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

11. Pubchem15968

12. Acmc-209zgs

13. Acmc-20a13r

14. 2,6-benzothiazolediamine,4,5,6,7-tetrahydro-, (6r)-

15. 2,6-benzothiazolediamine,4,5,6,7-tetrahydro-, (6s)-

16. Ksc269k5l

17. Schembl306888

18. Ben628

19. Jsp000451

20. Drryzhhkwshhft-uhfffaoysa-n

21. Molport-004-301-592

22. Act02327

23. Act03825

24. Ks-00000a3t

25. Anw-15085

26. Cd-623

27. Mfcd07771983

28. Sbb070151

29. Akos000138066

30. Akos016842410

31. Ac-5319

32. Rp23176

33. Rtc-020896

34. Tra0054808

35. 112gi014

36. Ak-32735

37. An-11082

38. As-12934

39. Bc225406

40. Br-32735

41. He001455

42. He252191

43. Kb-18106

44. Sc-19141

45. Sc-27903

46. Sy007512

47. Ab0012629

48. Ab1008239

49. Db-005879

50. Tc-020896

51. 4ch-013214

52. Ft-0602641

53. St24032679

54. 2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

55. 2,6-diamino-4,5,6,7-tetrahydro Benzothiazole

56. 2,6-diamino-4,5,6,7-tetrahydro-benzothiazole

57. M-2832

58. 2,6-diamino- 4,5,6,7-tetrahydro-benzthiazole

59. 617d494

60. I01-3648

61. I09-1334

62. J-500030

63. J-502460

64. J-507394

65. Q-200203

66. (+/-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

67. 2,6-diamino-4,5,6,7-tetrahydro-1,3-benzothiazole

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

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

70. (6rs)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

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

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 169.246 g/mol
Molecular Formula C7H11N3S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass169.067 g/mol
Monoisotopic Mass169.067 g/mol
Topological Polar Surface Area93.2 A^2
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
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