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Also known as: 100-38-9, 2-diethylaminoethanethiol, Diethylcysteamine, Ethanethiol, 2-(diethylamino)-, Diethyl(2-mercaptoethyl)amine, Diethylcysteamin
Molecular Formula
C6H15NS
Molecular Weight
133.26  g/mol
InChI Key
YBDSNEVSFQMCTL-UHFFFAOYSA-N
FDA UNII
TF6S7Q84YD

CAS	100-38-9
1 2D Structure

CAS	100-38-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(diethylamino)ethanethiol
2.1.2 InChI
InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
2.1.3 InChI Key
YBDSNEVSFQMCTL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CC)CCS
2.2 Other Identifiers
2.2.1 UNII
TF6S7Q84YD
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 100-38-9

2. 2-diethylaminoethanethiol

3. Diethylcysteamine

4. Ethanethiol, 2-(diethylamino)-

5. Diethyl(2-mercaptoethyl)amine

6. Diethylcysteamin

7. Diethylaminoethanethiol

8. N-diaethyl Cysteamin

9. 2-(diethylamino)ethyl Mercaptan

10. Triethylamine, 2-mercapto-

11. N,n-diethylcysteamine

12. 2-(diethylamino)ethane-1-thiol

13. 2-diethylamino-ethanethiol

14. Nsc 49193

15. Tf6s7q84yd

16. 2-(n,n-diethylamino)ethanethiol

17. Nsc-49193

18. N-diethyl Cysteamine

19. N,n-diethyl-cysteamine

20. 2-(diethylamino)ethylmercaptan

21. N-diaethyl Cysteamin [german]

22. Beta-diethylaminoethyl Mercaptan

23. Einecs 202-846-8

24. 2-(diethylamino)ethanthiol

25. Brn 0773677

26. N-diethylcysteamine

27. H-d-metyr-ohhcl

28. Unii-tf6s7q84yd

29. 2-(diethylamino)-ethanthiol

30. 2-(diethylamino)-ethanethiol

31. 2-diethylaminoethyl Mercaptan

32. Diethyl(2-sulfanylethyl)amine

33. (2-mercaptoethyl)diethylamine

34. 4-04-00-01590 (beilstein Handbook Reference)

35. N,n-diethylaminoethylmercaptan

36. Schembl295489

37. Bdbm7970

38. Dtxsid1074414

39. Wln: Sh2n2 & 2

40. .beta.-diethylaminoethyl Mercaptan

41. Bcp11871

42. Nsc49193

43. Bbl011336

44. Mfcd00066258

45. Stl146426

46. Akos005136505

47. Ns00022976

48. A800190

49. F8881-2878

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 133.26 g/mol
Molecular Formula C6H15NS
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area4.2
Heavy Atom Count8
Formal Charge0
Complexity43.8
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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