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CAS	30165-96-9
Also known as: 30165-96-9, 4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine, 4-chloro-3-morpholino-1,2,5-thiadiazole, Morpholine, 4-(4-chloro-1,2,5-thiadiazol-3-yl)-, M15n21l9ht, Mfcd00274160
Molecular Formula
C6H8ClN3OS
Molecular Weight
205.67  g/mol
InChI Key
LAUCCQWGVCJGFT-UHFFFAOYSA-N
FDA UNII
M15N21L9HT

1 2D Structure

CAS	30165-96-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine
2.1.2 InChI
InChI=1S/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
2.1.3 InChI Key
LAUCCQWGVCJGFT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCCN1C2=NSN=C2Cl
2.2 Other Identifiers
2.2.1 UNII
M15N21L9HT
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 30165-96-9

2. 4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine

3. 4-chloro-3-morpholino-1,2,5-thiadiazole

4. Morpholine, 4-(4-chloro-1,2,5-thiadiazol-3-yl)-

5. M15n21l9ht

6. Mfcd00274160

7. 3-chloro-4-morpholin-4-yl-1,2,5-thiadiazole

8. C6h8cln3os

9. Unii-m15n21l9ht

10. Timolol Impurity F

11. Einecs 250-077-1

12. 3-morpholino-4-chloro-1,2,5-thiadiazole

13. Ai3-62392

14. Timtec1_001315

15. 3-chloro-4-morpholine-1,2,5-thiadiazole

16. Schembl2207978

17. Lauccqwgvcjgft-uhfffaoysa-

18. Dtxsid50184248

19. Hms1537l17

20. Stk299984

21. Akos000266398

22. 1,2,5-thiadiazole, Morpholine Deriv.

23. Ac-8487

24. Ncgc00174560-01

25. Sy051078

26. Ts-02943

27. Db-047719

28. 2-naphthalenesulfonicacid, 6-(phenylamino)-

29. C2189

30. Cs-0155189

31. Eu-0052261

32. Ns00028870

33. En300-75117

34. Timolol Maleate Impurity F [ep Impurity]

35. A820231

36. Sr-01000526365

37. 4-(4-chloranyl-1,2,5-thiadiazol-3-yl)morpholine

38. 4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine #

39. Sr-01000526365-1

40. W-106954

41. 3-chloro-4-morpholin-4-yl-1,2,5-thiadiazole, 98%

42. Brd-k04184944-001-01-0

43. Q27283334

44. Z285751714

45. Inchi=1/c6h8cln3os/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4h2

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 205.67 g/mol
Molecular Formula C6H8ClN3OS
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area66.5
Heavy Atom Count12
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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