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Chemistry

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Also known as: 4076-02-2, Sodium 2,3-dimercapto-1-propanesulfonate, Sodium 2,3-dimercaptopropane-1-sulfonate, Dmps, Unitiol, Dimaval
Molecular Formula
C3H7NaO3S3
Molecular Weight
210.3  g/mol
InChI Key
FGGPAWQCCGEWTJ-UHFFFAOYSA-M
FDA UNII
690VN2L7TK

Unithiol
A chelating agent used as an antidote to heavy metal poisoning.
1 2D Structure

Unithiol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2,3-bis(sulfanyl)propane-1-sulfonate
2.1.2 InChI
InChI=1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1
2.1.3 InChI Key
FGGPAWQCCGEWTJ-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C(C(CS(=O)(=O)[O-])S)S.[Na+]
2.2 Other Identifiers
2.2.1 UNII
690VN2L7TK
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-sodium Sulfonate, 2,3-dimercaptopropane

2. 2,3 Dimercapto 1 Propanesulfonic Acid

3. 2,3 Dimercaptopropane 1 Sodium Sulfonate

4. 2,3 Dimercaptopropane 1 Sulfonate Sodium

5. 2,3 Dimercaptopropanesulfonic Acid

6. 2,3-dimercapto-1-propanesulfonic Acid

7. 2,3-dimercaptopropane 1-sodium Sulfonate

8. 2,3-dimercaptopropane Sulfonate, Sodium

9. 2,3-dimercaptopropane-1-sulfonate Sodium

10. 2,3-dimercaptopropanesulfonic Acid

11. 2,3-dithiopropanesulfate, Sodium

12. Dimaval

13. Dmps

14. Dmps Heyl

15. Dmps-heyl

16. Mercuval

17. Sodium 2,3-dimercaptopropane Sulfonate

18. Sodium 2,3-dithiopropanesulfate

19. Unitiol

2.3.2 Depositor-Supplied Synonyms

1. 4076-02-2

2. Sodium 2,3-dimercapto-1-propanesulfonate

3. Sodium 2,3-dimercaptopropane-1-sulfonate

4. Dmps

5. Unitiol

6. Dimaval

7. Sodium 2,3-dimercaptopropanesulfonate

8. 1-propanesulfonic Acid, 2,3-dimercapto-, Monosodium Salt

9. Sodium 2,3-dimercaptopropanesulphonate

10. 2,3-dimercapto-1-propanesulfonic Acid Sodium Salt

11. 690vn2l7tk

12. Sodium;2,3-bis(sulfanyl)propane-1-sulfonate

13. Sodium 2,3-disulfanylpropane-1-sulfonate

14. 2,3-dimercaptopropane-1-sulfonate Sodium

15. Sodium 2,3-dithiolpropanesulfonate

16. Einecs 223-796-3

17. 2,3-dimercaptopropane Sodium Sulphonate

18. (+)-dmps

19. (-)-dmps

20. Sodium 2,3-bis(sulfanyl)propane-1-sulfonate

21. Unithiol [mart.]

22. Unithiol [who-dd]

23. 2,3-dimercaptopropanesulfonic Acid Sodium Salt

24. Dmps (sodium Salt)

25. Unii-690vn2l7tk

26. Schembl164318

27. Niosh/tz6420050

28. Niosh/tz6420100

29. Sodium Dimercaptopropane Sulfonate

30. Dtxsid40958410

31. Amy22488

32. Mfcd00007523

33. Stl372655

34. Akos015898653

35. Akos015967317

36. Sodium 2,3-dimercapto-sulfonate

37. Sodium Dimercaptopropanesulphonate

38. As-64437

39. Sodium Dimercaptopropane Sulphonate

40. Db-049647

41. Ft-0609675

42. Tz64200500

43. Tz64201000

44. H10946

45. 2,3-dimercaptopropane-1-sulphonate Sodium

46. A923350

47. Dimercaptopropane Sulfonic Acid Sodium Salt

48. Sodium 2,3-dimercapto-1-propanesulphonate

49. (+)-2,3-dimercapto-1-propanesulfonate Sodium Salt

50. (-)-2,3-dimercapto-1-propanesulfonate Sodium Salt

51. D-2,3-dimercapto-1-propanesulfonic Acid Sodium Salt

52. L-2,3-dimercapto-1-propanesulfonic Acid Sodium Salt

53. Q-201912

54. Q26841293

55. 1-propanesulfonic Acid, 2,3-dimercapto-, Sodium Salt, (+)-

56. 1-propanesulfonic Acid, 2,3-dimercapto-, Sodium Salt, (-)-

57. 2,3-dimercapto-1-propanesulfonic Acid Sodium Salt [mi]

58. 1-propanesulfonic Acid, 2,3-dimercapto-, Sodium Salt (1:1)

59. 37260-06-3

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 210.3 g/mol
Molecular Formula C3H7NaO3S3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass209.94550188 g/mol
Monoisotopic Mass209.94550188 g/mol
Topological Polar Surface Area67.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antidotes

Agents counteracting or neutralizing the action of POISONS. (See all compounds classified as Antidotes.)


Chelating Agents

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS. (See all compounds classified as Chelating Agents.)


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