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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

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 Formula	C₃H₇NaO₃S₃
Molecular Weight	210.3 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	209.94550188 g/mol
Monoisotopic Mass	209.94550188 g/mol
Topological Polar Surface Area	67.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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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