Thiodiglycolic acid

Base Information

• Chemical Name: Thiodiglycolic acid
• CAS No.: 123-93-3
• Molecular Formula: C4H6O4S
• Molecular Weight: 150.155
• Hs Code.: 29309070
• European Community (EC) Number: 204-663-9
• NSC Number: 40469,28743
• UNII: 483M3RG5GW
• DSSTox Substance ID: DTXSID1051432
• Nikkaji Number: J5.546H
• Wikidata: Q15632885
• Metabolomics Workbench ID: 49704
• ChEMBL ID: CHEMBL1570500
• Mol file: 123-93-3.mol

Synonyms:thiodiacetic acid;thiodiglycolic acid

Chemical Property of Thiodiglycolic acid

Chemical Property:

• Appearance/Colour: greyish crystalline powder
• Vapor Pressure: 1.01E-06mmHg at 25°C
• Melting Point: 128-131 °C(lit.)
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 377 °C at 760 mmHg
• PKA: pK1:3.32;pK2:4.29 (25°C)
• Flash Point: 181.8 °C
• PSA: 99.90000
• Density: 1.535 g/cm³
• LogP: -0.11120
• Storage Temp.: −20°C
• Sensitive.: Stench
• Solubility.: 400g/l
• Water Solubility.: soluble
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 149.99867984
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

99.0%min ^*data from raw suppliers

2,2′-Thiodiacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(C(=O)O)SCC(=O)O
• Uses: Detection of copper, lead, mercury, silver: Dubsky et al., C.A. 34, 6185 (1940). It finds it applications in the production of [1,4]oxathiane-2,6-dione by heating. It is employed as an anti-oxidant and reducing agent in cosmetics industry.

Technology Process of Thiodiglycolic acid

There total 44 articles about Thiodiglycolic acid 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: 90.0%

mercaptoacetic acid (68-11-1) → thiodiacetic acid (123-93-3)

Guidance literature:

With dihydrogen peroxide; In ethanol; at 20 ℃; for 0.666667h; Green chemistry;

DOI:10.1002/aoc.3348

Reference yield:

bis-carboxymethyl-phenethyl sulfonium-betaine → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + thiodiacetic acid (123-93-3)

Guidance literature:

Reference yield:

dichloro-acetic acid (79-43-6) → thiodiacetic acid (123-93-3) + disulfanediyldiacetic acid (505-73-7) + mercaptoacetic acid (68-11-1)

Guidance literature:

With sodium hydroxide; sodium hydrogensulfide; In water; at 60 ℃; for 1h; Product distribution; various mol. ratio and hydrosulphide reagent;

upstream raw materials:

diethyl 2,2′-thiobis(3-oxobutanoate)

sodium monochloroacetic acid

Iodoacetic acid

mercaptoacetic acid

Downstream raw materials:

diethyl thioglycolate

3-thia-glutaric acid bis-(2-ethyl-hexyl ester)

1,4-oxathiane-2,6-dione

dichloromethyl sulfone