Unithiol

Base Information

• Chemical Name: Unithiol
• CAS No.: 4076-02-2
• Deprecated CAS: 37260-06-3,85549-76-4
• Molecular Formula: C3H7NaO3S3
• Molecular Weight: 210.275
• Hs Code.: 2930909090
• European Community (EC) Number: 223-796-3
• UNII: 690VN2L7TK
• DSSTox Substance ID: DTXSID40958410
• Nikkaji Number: J22.264J
• Wikidata: Q26841293
• NCI Thesaurus Code: C87691
• Mol file: 4076-02-2.mol

Synonyms:1-Sodium Sulfonate, 2,3-Dimercaptopropane;2,3 Dimercapto 1 propanesulfonic Acid;2,3 Dimercaptopropane 1 Sodium Sulfonate;2,3 Dimercaptopropane 1 sulfonate Sodium;2,3 Dimercaptopropanesulfonic Acid;2,3-Dimercapto-1-propanesulfonic Acid;2,3-Dimercaptopropane 1-Sodium Sulfonate;2,3-Dimercaptopropane Sulfonate, Sodium;2,3-Dimercaptopropane-1-sulfonate Sodium;2,3-Dimercaptopropanesulfonic Acid;2,3-Dithiopropanesulfate, Sodium;Dimaval;DMPS;DMPS Heyl;DMPS-Heyl;Mercuval;Sodium 2,3-Dimercaptopropane Sulfonate;Sodium 2,3-Dithiopropanesulfate;Unithiol;Unitiol

Chemical Property of Unithiol

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: 215 °C (dec.)
• PSA: 143.18000
• LogP: 0.84060
• Storage Temp.: 2-8°C
• Solubility.: H2O: 0.1 g/mL, clear
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 209.94550188
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Sodium2,?3-?Dimercaptopropane-?1-?sulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Chelating Agents
• Canonical SMILES: C(C(CS(=O)(=O)[O-])S)S.[Na+]
• Recent ClinicalTrials: The Individual Therapy for Patients With Wilson's Disease
• Uses: Sodium 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.

Technology Process of Unithiol

There total 5 articles about Unithiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.9%

2,3-dimercaptopropane-1-sulphonic acid (88031-93-0,88243-48-5,88243-51-0,74-61-3) → unithiol (4076-02-2)

Guidance literature:

With sodium carbonate; In ethanol; pH=4 - 4.5; Reagent/catalyst; Large scale;

Reference yield: 63.5%

2,3-dimercapto-propane-1-sulfonic acid ; sodium-zinc-salt → unithiol (4076-02-2)

Guidance literature:

With hydrogen sulfide; In ethanol; at 18 ℃; for 4h; Reagent/catalyst; Large scale;

Reference yield:

lead acetate (301-04-2) + sodium 2,3-dibromopropane-1-sulfonate (51116-03-1) → unithiol (4076-02-2)

Guidance literature:

sodium 2,3-dibromopropane-1-sulfonate; With sodium ethanolate; In ethanol; at 23 - 25 ℃; for 1.5h; under 2250.23 - 3750.38 Torr;

lead acetate; In water; at 50 - 55 ℃; for 1h; Reagent/catalyst; Temperature; Further stages;

upstream raw materials:

lead acetate

sodium 2,3-dibromopropane-1-sulfonate

2,3-dimercaptopropane-1-sulphonic acid

Refernces

• 1、 -. "Method for preparing sodium 2,3-dimercapto-1-propanesulfonate". Paragraph 0038; 0039; 0040; 0043; 0044. . Retrieved 2019/05/08.
• 2、 -. "A kind of improved 2, 3 - dimercapto method for the synthesis of the sodium". Paragraph 0032; 0035; 0038; 0039. . Retrieved 2018/11/03.