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Also known as: 30536-19-7, 5-chloro-2,1,3-benzothiadiazol-4-amine, 5-chlorobenzo[c][1,2,5]thiadiazol-4-amine, 2,1,3-benzothiadiazol-4-amine, 5-chloro-, 5-chloro-benzo[1,2,5]thiadiazol-4-ylamine, 4-amino-5-chloropiazthiole

Molecular Formula

C₆H₄ClN₃S

Molecular Weight

185.64 g/mol

InChI Key

MURNIACGGUSMAP-UHFFFAOYSA-N

FDA UNII

U6QN8431MF

1 2D Structure

4-Amino-5-Chloro-2,1,3-Benzothiadiazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-2,1,3-benzothiadiazol-4-amine

2.1.2 InChI

InChI=1S/C6H4ClN3S/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2

2.1.3 InChI Key

MURNIACGGUSMAP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=NSN=C2C(=C1Cl)N

2.2 Other Identifiers

2.2.1 UNII

U6QN8431MF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 30536-19-7

2. 5-chloro-2,1,3-benzothiadiazol-4-amine

3. 5-chlorobenzo[c][1,2,5]thiadiazol-4-amine

4. 2,1,3-benzothiadiazol-4-amine, 5-chloro-

5. 5-chloro-benzo[1,2,5]thiadiazol-4-ylamine

6. 4-amino-5-chloropiazthiole

7. Tizanidine Related Compound A

8. U6qn8431mf

9. 5-chloro-2,1,3-benzothiadiazol-4-amine (4-amino-5-chloro-2,1,3-benzothiadiazole)

10. Tizanidine Impurity A

11. Unii-u6qn8431mf

12. Tizanidine Related Compound A [usp]

13. Tizanidine Related Compound A Rs [usp]

14. Oprea1_447513

15. Schembl2208698

16. Dtxsid80184610

17. Zinc254834

18. Albb-010480

19. 4-amino-5-chloro-2,1,3-benzoth

20. Mfcd00465908

21. Stk397705

22. Akos000108011

23. As-31823

24. 5-chloro-4-amino-2,1,3-benzothiadiazole

25. 5-chlorobenzo[1,2,5]thiadiazol-4-ylamine

26. Db-011277

27. Am20040139

28. Bb 0244893

29. Cs-0199395

30. Eu-0033553

31. Ft-0638927

32. En300-91514

33. Tizanidine Related Compound A [usp-rs]

34. 536a197

35. A876155

36. Sr-01000390058

37. J-018002

38. Sr-01000390058-1

39. Tizanidine Related Compound A [usp Impurity]

40. 5-chloro-2,1,3-benzothiadiazol-4-amine, Aldrichcpr

41. Q27290761

42. Tizanidine Hydrochloride Impurity E [ep Impurity]

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₄ClN₃S
Molecular Weight	185.64 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	184.9814460 g/mol
Monoisotopic Mass	184.9814460 g/mol
Topological Polar Surface Area	80 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1