2,3-Dimercapto-1-Propanesulfonic Acid

HCID 6321

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Basic information

CAS: 74-61-3
Standard SMILES: O=S(=O)(O)CC(S)CS
InChIKey: JLVSRWOIZZXQAD-UHFFFAOYSA-N
Molecular formula: C3H8O3S3
Average molar mass: 188.3 g/mol
Monoisotopic mass: 187.96355763

Names & identifiers

Preferred name: 2,3-Dimercapto-1-Propanesulfonic Acid
IUPAC: 2,3-bis(sulfanyl)propane-1-sulfonic acid
English name: DMPS
Molecular formula: C3H8O3S3
Molecular weight: 188.29

Names & synonyms

2,3-DIMERCAPTO-1-PROPANESULFONIC ACID74-61-3DL-2,3-Dimercaptopropane-1-sulfonic acid1-Propanesulfonic acid, 2,3-dimercapto-2,3-Dimercaptopropan-1-sulfonsaeure(+-)-2,3-Dimercapto-1-propanesulfonic acidCHEBI:888086L82361JDTXSID50483442,3-dimercapto-1-propane sulfonateRefChem:1059448DTXCID6028319

Show more names

UNITHIOL(ACID)DMPS USP/EP/BP2,3-DimercaptopropanesulfonicDimercaptopropanesulfonicSodium2,3-dimercapto-1-propanesulfonicaci2,3-dimercapto-1-propanesulfonicacid2,3-DIMERCAPTOPROPANESULFONIC SODIUM2,3-dimercaptopropane-1-sulphonic acid

DMPS2,3-Dimercaptopropane-1-sulfonic acid2,3-bis(sulfanyl)propane-1-sulfonic acid2,3-disulfanylpropane-1-sulfonic acid1-Propanesulfonic acid,2,3-dimercapto-CHEMBL1624767BRN 1763751Dimercaptopropane-1-Sulfonate

Database identifiers

CAS: 74-61-3
PubChem CID: 6321
DTXSID: DTXSID5048344
ChEMBL: CHEMBL1624767
ChEBI: CHEBI:888
UNII: 086L82361J
Nikkaji: J399.062A

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 64.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 156

Physicochemical properties

Density: 1.505 · 1.505±0.06 g/cm3(Predicted)
pka: 1.26 · 1.26±0.50(Predicted)
FDA UNII: 86 L82361J · 086L82361J

Chemistry & industry

Applications

UsesDMPS is more effective than dimercaprol for mercury poisoning, but less toxic. It is also effective against poisoning by arsenic, chromium, bismuth, copper, and antimony.