Unithiol
Basic information
- CAS
4076-02-2- Standard SMILES
O=S(=O)([O-])CC(S)CS.[Na+]- InChIKey
FGGPAWQCCGEWTJ-UHFFFAOYSA-M- Molecular formula
- C3H7NaO3S3
- Average molar mass
- 210.3 g/mol
- Monoisotopic mass
- 209.94550136
Overview
A chelating agent used as an antidote to heavy metal poisoning.
Names & identifiers
- Preferred name
- Unithiol
- IUPAC
- sodium 2,3-bis(sulfanyl)propane-1-sulfonate
- English name
- 2,3-Dimercaptopropanesulfonic acid sodium salt
- Molecular formula
- C3H7NaO3S3
- Molecular weight
- 211.28
Names & synonyms
Unithiol4076-02-2Sodium 2,3-dimercapto-1-propanesulfonateSodium 2,3-dimercaptopropane-1-sulfonateUNITIOLsodium 2,3-dimercaptopropanesulfonate1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt690VN2L7TK2,3-Dimercaptopropane-1-sulfonate Sodium1-Sodium Sulfonate, 2,3-DimercaptopropaneSodium 2,3-DithiopropanesulfateDMPS Heyl
Show more names
DMPSUnithiolum2,3-Dimercaptopropylsulfonic acid sodium salt2,3-DIMERCAPTOPROPYLSULPHONIC ACID SODIUM SALT2,3-PROPANEDITHIOL-1-SULPHONIC ACID SODIUM SALTDimaval2,3-sulfonate
DMPS-HeylSodium 2,3-Dimercaptopropane Sulfonate2,3-Dimercaptopropane 1-Sodium SulfonateRefChem:9011282,3-Dithiopropanesulfate, Sodium2,3 Dimercaptopropanesulfonic Acid2,3 Dimercapto 1 propanesulfonic Acid2,3-Dimercaptopropane Sulfonate, Sodium
Database identifiers
- CAS
4076-02-2- PubChem CID
- 2724039
- DTXSID
DTXSID40958410- UNII
- 690VN2L7TK
- EC Number
- 223-796-3
- Nikkaji
- J22.264J
Properties
Computed structural properties
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Chelating Agents
Physical DescriptionSolid; [Merck Index]
Physicochemical properties
- Melting point
- 215 °C · 215 °C (dec.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 2 O: · H2O: 0.1 g/mL, clear
- Merck
- 14 · 14,3210
- BRN
- 3734863 · 3734863
- 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
- InChIKey
- FGGPAWQCCGEWTJ-UHFFFAOYSA-M
- SMILES
- S([O-])(=O)(=O)CC(S)CS.[Na+]
- CAS DataBase Reference
- 4076 · 4076-02-2(CAS DataBase Reference)
- FDA UNII
- 690 VN2L7TK · 690VN2L7TK
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards Summary
Causes altered sleep time, muscle weakness, and dyspnea in subcutaneous lethal-dose studies of rats; Causes changes in blood serum composition in intermittent intravenous studies of dogs; [RTECS] Harmful by skin absorption; [Alfa Aesar MSDS] See THIOLS and 1,2-Ethanedithiol.
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Safety data
- F
- 10-23
- wgk
- 3
- rtecs
- TZ6420000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents counteracting or neutralizing the action of POISONS.
Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
Uses & manufacturing
UsesA chelating agent used in cases of metal poisoning; [Merck Index]
Applications
UsesSodium 2,3-Dimercaptopropane-1-sulfonate can be used in engineering or chemical process of preparation method of rare earth modified graphene reinforced metal matrix composite bar.
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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