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2D Structure
Also known as: Chlormethiazole hydrochloride, 6001-74-7, 5-(2-chloroethyl)-4-methylthiazole hydrochloride, Clomethiazole hydrochloride [mi], 85223emg44, 5-(2-chloroethyl)-4-methyl-1,3-thiazole hydrochloride (1:1)
Molecular Formula
C6H9Cl2NS
Molecular Weight
198.11  g/mol
InChI Key
OFXYKSLKNMTBHK-UHFFFAOYSA-N
FDA UNII
85223EMG44

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
2.1.2 InChI
InChI=1S/C6H8ClNS.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H
2.1.3 InChI Key
OFXYKSLKNMTBHK-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
85223EMG44
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Chlormethiazole Hydrochloride

2. 6001-74-7

3. 5-(2-chloroethyl)-4-methylthiazole Hydrochloride

4. Clomethiazole Hydrochloride [mi]

5. 85223emg44

6. 5-(2-chloroethyl)-4-methyl-1,3-thiazole Hydrochloride (1:1)

7. Thiazole, 5-(2-chloroethyl)-4-methyl-, Hydrochloride (1:1)

8. Dtxsid80597589

9. Ec 611-928-6

10. Refchem:577734

11. Dtxcid30548349

12. 611-928-6

13. Mfcd00673948

14. 5-(2-chloroethyl)-4-methyl-1,3-thiazole Hydrochloride

15. 5-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride

16. 5-(2-chloroethyl)-4-methyl-thiazole Hydrochloride

17. Somnevrin Hydrochloride

18. Unii-85223emg44

19. Clomethiazole Hcl

20. Chlormethiazole Hcl

21. Thiazole, 5-(2-chloroethyl)-4-methyl-, Hydrochloride (1:1); Thiazole, 5-(2-chloroethyl)-4-methyl-, Hydrochloride (6ci,7ci,8ci,9ci); 5-(2-chloroethyl)-4-methylthiazole Hydrochloride; Chlormethiazole Hydrochloride; Clomethiazole Hydrochloride

22. Thiazole, 5-(2-chloroethyl)-4-methyl-, Hydrochloride

23. 4-methyl-5-(beta-chloroethyl)thiazole Hydrochloride

24. Orb1308439

25. Orb1309837

26. Schembl1606752

27. Hy-a0296

28. Tox21_500131

29. Akos024458676

30. Ccg-221435

31. Fc36267

32. Gs-6293

33. Lp00131

34. Ncgc00260816-01

35. Da-62277

36. Sy116853

37. C3020

38. Cs-0021048

39. Ns00078373

40. T71110

41. 5-(2-chloroethyl)-4-methyl-thiazole;hydrochloride

42. 533c459

43. Sr-01000597883

44. Sr-01000597883-1

45. Chlormethiazole Hydrochloride, >=98% (hplc), Powder

46. Q27269575

2.4 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 198.11 g/mol
Molecular Formula C6H9Cl2NS
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area41.1
Heavy Atom Count10
Formal Charge0
Complexity89.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2