CAS 30165-97-0

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Also known as: Refchem:502441, 30165-97-0, 4-morpholino-1,2,5-thiadiazol-3-ol, 4-(morpholin-4-yl)-1,2,5-thiadiazol-3-ol, 4-morpholin-4-yl-1,2,5-thiadiazol-3-ol, Mfcd01820806

Molecular Formula

C₆H₉N₃O₂S

Molecular Weight

187.22 g/mol

InChI Key

DWUZILHYAJBUBR-UHFFFAOYSA-N

FDA UNII

9OQD3RT10O

1 2D Structure

CAS 30165-97-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-morpholin-4-yl-1,2,5-thiadiazol-3-one

2.1.2 InChI

InChI=1S/C6H9N3O2S/c10-6-5(7-12-8-6)9-1-3-11-4-2-9/h1-4H2,(H,8,10)

2.1.3 InChI Key

DWUZILHYAJBUBR-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

9OQD3RT10O

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Refchem:502441

2. 30165-97-0

3. 4-morpholino-1,2,5-thiadiazol-3-ol

4. 4-(morpholin-4-yl)-1,2,5-thiadiazol-3-ol

5. 4-morpholin-4-yl-1,2,5-thiadiazol-3-ol

6. Mfcd01820806

7. 4-morpholin-4-yl-1,2,5-thiadiazol-3-one

8. Timolol Ep Impurity D

9. 1,2,5-thiadiazol-3(2h)-one, 4-(4-morpholinyl)-

10. 1,2,5-thiadiazol-3-ol, 4-morpholino-

11. 3-morpholino-4-hydroxy-1,2,5-thiadiazole

12. 9oqd3rt10o

13. 3-hydroxy-4-morpholino-1,2,5-thiazole

14. 3-hydroxy-4-morpholino-1,2,5-thiazole;4-morpholino-1,2,5-thiadiazol-3-ol

15. Unii-9oqd3rt10o

16. Timolol Maleate Specified Impurity D [ep]

17. Chemdiv2_002256

18. Oprea1_464928

19. Mls001002071

20. Timolol Maleate Ep Impurity D

21. Schembl1587527

22. Chembl1082515

23. Dwuzilhyajbubr-uhfffaoysa-

24. Dtxsid10184249

25. Dwuzilhyajbubr-uhfffaoysa-n

26. Hms1375g12

27. Hms2688n06

28. Ebc-14729

29. Sbb000266

30. Stk675866

31. Akos001060909

32. Akos005593909

33. Ps-6157

34. Smr000368186

35. St016620

36. Sy131713

37. Db-068234

38. 4-(4-morpholinyl)-1,2,5-thiadiazol-3-ol

39. 4-morpholino-1,2,5-thiadiazol-3(2h)-one

40. Cs-0187044

41. Eu-0018774

42. En300-05872

43. 4-(4-morpholinyl)-1,2,5-thiadiazol-3-ol #

44. D97515

45. Timolol Maleate Impurity D [ep Impurity]

46. 4-(4-morpholinyl)-1,2,5-thiadiazol-3(2h)-one

47. Ag-205/13185008

48. Sr-01000526363

49. 4-(morpholin-4-yl)-1,2,5-thiadiazol-3(2h)-one

50. Sr-01000526363-1

51. Q27272837

52. Z56928893

53. Inchi=1/c6h9n3o2s/c10-6-5(7-12-8-6)9-1-3-11-4-2-9/h1-4h2,(h,8,10)

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₉N₃O₂S
Molecular Weight	187.22 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	79.2
Heavy Atom Count	12
Formal Charge	0
Complexity	225
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

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