106092-11-9

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Also known as: 106092-11-9, (+)-(6r)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (r)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine, (6r)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, (r)-, Mfcd07369986

Molecular Formula

C₇H₁₁N₃S

Molecular Weight

169.25 g/mol

InChI Key

DRRYZHHKWSHHFT-SCSAIBSYSA-N

1 2D Structure

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

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

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

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

6. Mfcd07369986

7. Pramipexole Impurity 43

8. (r)-n-despropyl Pramipexole

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

10. Schembl2051128

11. Chembl1190822

12. Dtxsid80587748

13. Bcp28311

14. Zinc12650538

15. Akos015915313

16. Cs-w019104

17. Ds-0449

18. 112gi016

19. Ac-20378

20. 092t119

21. (6r)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

22. (6r)-2,6 Diamino-4,5,6,7-tetrahydro-benzothiazole

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

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

25. (+)-(r)-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine

2.3 Create Date

2007-10-09

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁N₃S
Molecular Weight	169.25 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	169.06736854 g/mol
Monoisotopic Mass	169.06736854 g/mol
Topological Polar Surface Area	93.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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