CAS 13242-44-9

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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

CAS 13242-44-9

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 Formula	C₄H₁₂ClNS
Molecular Weight	141.66 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	4.2
Heavy Atom Count	7
Formal Charge	0
Complexity	28.7
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	2

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