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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1187-84-4, S-methylcysteine, H-cys(me)-oh, S-methyl-cysteine, L-cysteine, s-methyl-, Cysteine, s-methyl-

Molecular Formula

C₄H₉NO₂S

Molecular Weight

135.19 g/mol

InChI Key

IDIDJDIHTAOVLG-VKHMYHEASA-N

FDA UNII

A34I1H07YM

1 2D Structure

S-Methyl-L-Cysteine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-amino-3-methylsulfanylpropanoic acid

2.1.2 InChI

InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

2.1.3 InChI Key

IDIDJDIHTAOVLG-VKHMYHEASA-N

2.1.4 Canonical SMILES

CSCC(C(=O)O)N

2.1.5 Isomeric SMILES

CSC[C@@H](C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

A34I1H07YM

2.3 Synonyms

2.3.1 MeSH Synonyms

1. S-11c-methyl-l-cysteine

2. S-methylcysteine

3. S-methylcysteine, (dl-cys)-isomer

4. S-methylcysteine, (l-cys)-isomer

5. S-methylcysteine, Hydrochloride, (l-cys)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 1187-84-4

2. S-methylcysteine

3. H-cys(me)-oh

4. S-methyl-cysteine

5. L-cysteine, S-methyl-

6. Cysteine, S-methyl-

7. (r)-2-amino-3-(methylthio)propanoic Acid

8. Alanine, 3-(methylthio)-, L-

9. H-cys(me)-oh.hcl

10. Methylcysteine

11. A34i1h07ym

12. Chembl394875

13. Chebi:45658

14. (2r)-2-amino-3-(methylsulfanyl)propanoic Acid

15. L-methylcysteine

16. Ccris 1972

17. 3-(methylthio)-l-alanine

18. Einecs 214-701-6

19. Nsc 15387

20. Unii-a34i1h07ym

21. (2r)-2-azaniumyl-3-(methylsulfanyl)propanoate

22. (r)-2-ammonio-3-(methylthio)propanoate

23. Nsc-15387

24. S-methyl-l-cys

25. (r)-2-amino-3-(methylmercapto)propionic Acid

26. S-n-methylcysteine

27. Cysteine,s-methyl-

28. D-s-methyl-cysteine

29. Mfcd00002612

30. L-s-methyl-cysteine

31. (2r)-2-amino-3-methylsulfanylpropanoic Acid

32. (-)-s-methyl-l-cysteine

33. S-methylcysteine, L-

34. 3-(methylthio)alanine

35. Schembl110458

36. L-ch3sch2ch(nh2)cooh

37. S-methyl-(r)-cysteine

38. Dtxsid50862579

39. Hy-b2188

40. Zinc3861771

41. Einecs 243-203-1

42. Bdbm50213729

43. S4786

44. S-methyl-l-cysteine, (-)-

45. Akos000275785

46. Am82581

47. Ccg-266126

48. Cs-7653

49. Db02216

50. Gs-3468

51. M0233

52. C22040

53. M-3585

54. A804094

55. J-300343

56. Q27093260

57. 0ddf4489-1bf1-4858-9127-80a71a348ec8

58. S-methyl-l-cysteine, Substrate For Methionine Sulfoxide Reductase A

2.4 Create Date

2005-07-10

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NO₂S
Molecular Weight	135.19 g/mol
XLogP3	-2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	135.03539970 g/mol
Monoisotopic Mass	135.03539970 g/mol
Topological Polar Surface Area	88.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1