2,3-Dimercapto-1-propanesulfonic acid

Chemistry

Chemistry

Also known as: 74-61-3, Dmps, Dl-2,3-dimercaptopropane-1-sulfonic acid, 2,3-dimercaptopropane-1-sulfonic acid, 2,3-dimercaptopropanesulfonic acid, 2,3-dimercaptopropan-1-sulfonsaeure

Molecular Formula

C₃H₈O₃S₃

Molecular Weight

188.3 g/mol

InChI Key

JLVSRWOIZZXQAD-UHFFFAOYSA-N

FDA UNII

086L82361J

A chelating agent used as an antidote to heavy metal poisoning.

1 2D Structure

2,3-Dimercapto-1-propanesulfonic acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-bis(sulfanyl)propane-1-sulfonic acid

2.1.2 InChI

InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)

2.1.3 InChI Key

JLVSRWOIZZXQAD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(CS(=O)(=O)O)S)S

2.2 Other Identifiers

2.2.1 UNII

086L82361J

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-dimercaptopropane 1-sodium Sulfonate

7. 2,3-dimercaptopropane Sulfonate, Sodium

8. 2,3-dimercaptopropane-1-sulfonate Sodium

9. 2,3-dimercaptopropanesulfonic Acid

10. 2,3-dithiopropanesulfate, Sodium

11. Dimaval

12. Dmps

13. Dmps Heyl

14. Dmps-heyl

15. Mercuval

16. Sodium 2,3-dimercaptopropane Sulfonate

17. Sodium 2,3-dithiopropanesulfate

18. Unithiol

19. Unitiol

2.3.2 Depositor-Supplied Synonyms

1. 74-61-3

2. Dmps

3. Dl-2,3-dimercaptopropane-1-sulfonic Acid

4. 2,3-dimercaptopropane-1-sulfonic Acid

5. 2,3-dimercaptopropanesulfonic Acid

6. 2,3-dimercaptopropan-1-sulfonsaeure

7. 2,3-bis(sulfanyl)propane-1-sulfonic Acid

8. (+-)-2,3-dimercapto-1-propanesulfonic Acid

9. 2,3-disulfanylpropane-1-sulfonic Acid

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

11. 1-propanesulfonic Acid,2,3-dimercapto-

12. Chebi:888

13. Chembl1624767

14. 086l82361j

15. Brn 1763751

16. Dimercaptopropane-1-sulfonate

17. 2,3-dimercaptopropan-1-sulfonsaeure [german]

18. Unii-086l82361j

19. 4-04-00-00094 (beilstein Handbook Reference)

20. Dimercaptopropane Sulfonic Acid

21. Schembl135293

22. Dtxsid5048344

23. 2,3-dimercapto-1-propane Sulfonate

24. Dimercaptopropanesulfonic Acid

25. Bdbm50420189

26. Q415659

27. Sr-01000945180

28. 2,3-dimercapto-1-propanesulfonic Acid [mi]

29. Sr-01000945180-1

30. (+/-)-2,3-dimercapto-1-propanesulfonic Acid

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₃H₈O₃S₃
Molecular Weight	188.3 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	187.96355763 g/mol
Monoisotopic Mass	187.96355763 g/mol
Topological Polar Surface Area	64.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	156
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	1

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.)

CAS 74-61-3 manufacturers and suppliers on PharmaCompass

2,3-Dimercapto-1-propanesulfonic Acid

2,3-Dimercapto-1-propanesulfonic acid

Chemistry

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