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2D Structure
Also known as: 13242-44-9, Captamine hydrochloride, Captamine hcl, Meda, 2-dimethylaminoethanethiol hydrochloride, N,n-dimethylcysteamine hydrochloride
Molecular Formula
C4H12ClNS
Molecular Weight
141.66  g/mol
InChI Key
NRVFDGZJTPCULU-UHFFFAOYSA-N
FDA UNII
M43AX41U87

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(dimethylamino)ethanethiol;hydrochloride
2.1.2 InChI
InChI=1S/C4H11NS.ClH/c1-5(2)3-4-6;/h6H,3-4H2,1-2H3;1H
2.1.3 InChI Key
NRVFDGZJTPCULU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)CCS.Cl
2.2 Other Identifiers
2.2.1 UNII
M43AX41U87
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 13242-44-9

2. Captamine Hydrochloride

3. Captamine Hcl

4. Meda

5. 2-dimethylaminoethanethiol Hydrochloride

6. N,n-dimethylcysteamine Hydrochloride

7. Nsc-45463

8. Captamine Hydrochloride [usan]

9. N-dimethylcysteamine Hydrochloride

10. (2-mercaptoethyl)dimethylammonium Chloride

11. 2-dimethylaminoethanethiol Hcl

12. Ethanethiol, 2-(dimethylamino)-, Hydrochloride

13. Ethanethiol, 2-(dimethylamino)-, Hydrochloride (1:1)

14. N-(2-mercaptoethyl)dimethylamine Hydrochloride

15. (dimethylamino)ethanethiol Hydrochloride

16. 1-(dimethylamino)-2-thioethane Hydrochloride

17. N,n-dimethyl-2-aminoethanethiol Hydrochloride

18. Dtxsid7046596

19. 2-(dimethylamino)ethane-1-thiol Hydrochloride

20. M43ax41u87

21. 2-(dimethylamino)ethanethiol;hydrochloride

22. Captamine Hydrochloride (usan)

23. Nsc45463

24. Ncgc00166304-01

25. Einecs 236-221-6

26. Nsc 45463

27. 2-dimethylamino Ethanethiol Hydrochloride

28. Unii-m43ax41u87

29. Captamine Hydrochloride;

30. Schembl126014

31. Chembl2107613

32. Dtxcid5026596

33. Tox21_112401

34. Mfcd00012633

35. Akos005259146

36. 2-(dimethylamino)ethanthiol Hydrochloride

37. 2-dimethylamino-ethanethiol Hydrochloride

38. As-33239

39. Beta-dimethylaminoethanethiol Hydrochloride

40. 2-(dimethylamino)-ethanethiol Hydrochloride

41. Cas-13242-44-9

42. Db-042112

43. 2-dimethylaminoethanethiol Hydrochloride Salt

44. Ns00085009

45. Dimethylamino)ethanethiol Hydrochloride

46. 2-(dimethylamino)ethanethiol; Hydron; Chloride

47. D03376

48. 2-(dimethylamino)ethanethiol Hydrochloride, 95%

49. 2-dimethylaminoethanethiol Hydrochloric Acid Salt

50. 2-(n,n-dimethylamino)ethyl Mercaptan Hydrochloride

51. 2-(n,n-dimethylamino)ethylmercaptan Hydrochloride

52. A806434

53. J-006175

54. Q6715310

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 141.66 g/mol
Molecular Formula C4H12ClNS
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area4.2
Heavy Atom Count7
Formal Charge0
Complexity28.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2