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106092-11-9
PharmaCompass
  • Chemistry
106092-11-9
Also known as: 106092-11-9, (r)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine, (+)-(6r)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (6r)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, (r)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, (r)-
Molecular Formula
C7H11N3S
Molecular Weight
169.246  g/mol
InChI Key
DRRYZHHKWSHHFT-SCSAIBSYSA-N

1 2D Structure

106092-11-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6R)-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)/t4-/m1/s1
2.1.3 InChI Key
DRRYZHHKWSHHFT-SCSAIBSYSA-N
2.1.4 Canonical SMILES
C1CC2=C(CC1N)SC(=N2)N
2.1.5 Isomeric SMILES
C1CC2=C(C[C@@H]1N)SC(=N2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 106092-11-9

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

3. (+)-(6r)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

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

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

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

7. Pubchem21532

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

9. Schembl2051128

10. Chembl1190822

11. Ctk4a4401

12. Dtxsid80587748

13. Ebd7331

14. Drryzhhkwshhft-scsaibsysa-n

15. Molport-002-501-553

16. Anw-50234

17. Ct-566

18. Zinc12650538

19. Akos015915313

20. Ds-0449

21. Fch4008891

22. Rp23174

23. Ks-00000k91

24. 112gi016

25. Ac-20378

26. Aj-62977

27. Ak-25280

28. An-33894

29. Br-25280

30. Kb-00120

31. Sc-27798

32. Ab0034615

33. Ax8030072

34. Rt-015273

35. St2414479

36. Ft-0601674

37. X8793

38. A-2447

39. A13054

40. 092t119

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

42. I14-6480

43. (6r)-2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

44. (+)-(6r)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazo

45. R-(+)-2,6-diamino-4,5,6,7- Tetrahydrobenzothiazole

2.3 Create Date
2007-10-09
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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