CAS 30165-96-9

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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 Formula	C₆H₈ClN₃OS
Molecular Weight	205.67 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.5
Heavy Atom Count	12
Formal Charge	0
Complexity	156
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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