HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3-Dimercapto-1-Propanesulfonic Acid
UNITHIOL(ACID) · DMPS USP/EP/BP · 2,3-Dimercaptopropanesulfonic · DimercaptopropanesulfonicSodium · 2,3-dimercaptopropan-1-sulfonsaeure · 2,3-dimercapto-1-propanesulfonicaci · 2,3-dimercapto-1-propanesulfonicacid · 2,3-DIMERCAPTOPROPANESULFONIC SODIUM
Identifiers & Physical Properties
| CAS No. | 74-61-3 |
|---|---|
| Molecular formula | C3H8O3S3 |
| Average molar mass | 188.3 g/mol |
| Monoisotopic mass | 187.96355763 g/mol |
| SMILES | O=S(=O)(O)CC(S)CS |
| InChIKey | JLVSRWOIZZXQAD-UHFFFAOYSA-N |
| PubChem CID | 6321 |
| ChEMBL | CHEMBL1624767 |
| ChEBI | CHEBI:888 |
| DTXSID | DTXSID5048344 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 64.8 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 156 |
| Density | 1.505±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.26±0.50(Predicted) |
| FDA UNII | 086L82361J |
Applications & Uses
Uses
DMPS is more effective than dimercaprol for mercury poisoning, but less toxic. It is also effective against poisoning by arsenic, chromium, bismuth, copper, and antimony.