(5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic Acid

Base Information

• Chemical Name: (5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic Acid
• CAS No.: 53723-88-9
• Molecular Formula: C4H4 N2 O2 S3
• Molecular Weight: 208.286
• Hs Code.: 2934999090
• European Community (EC) Number: 258-728-1
• DSSTox Substance ID: DTXSID40201993
• Nikkaji Number: J296.030C
• Mol file: 53723-88-9.mol

Synonyms:53723-88-9;(5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic Acid;2-[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid;(5-Mercapto-1,3,4-thiadiazole-2-ylthio)acetic acid;2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid;[(5-mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid;Acetic acid, [(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-;EINECS 258-728-1;[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid;2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid;((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid;2-((5-Mercapto-1,3,4-thiadiazol-2-yl)thio)acetic acid;[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid;C4H4N2O2S3;Acetic acid, ((4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)-;Maybridge1_001968;(5-Mercapto-1,3,4-thiadiazol-2-ylthio)aceticAcid;SCHEMBL1964151;SCHEMBL24630769;HMS547B10;DTXSID40201993;C4-H4-N2-O2-S3;MFCD00129970;AKOS017344873;AKOS028108757;AS-31461;CS-0188354;FT-0620538;M2100;EN300-27742;2-Carboxymethylthio-5-Mercapto-1,3,4-Thiadiazole;A829752;AO-780/25081015;J-507604;2-(5-mercapto-1,3,4-thiadiazol-2-ylthio)acetic acid;2-[(5-Thio-1,3,4-thiadiazol-2-yl)thio]acetic acid;Z235346115;Acetic acid, [(4,5-dihydro-5-thioxo-1, 3,4-thiadiazol-2-yl)thio]-;2-[(5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

Chemical Property of (5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic Acid

Chemical Property:

• Appearance/Colour: yellow solid.
• Vapor Pressure: 7.61E-07mmHg at 25°C
• Melting Point: 168 °C
• Boiling Point: 380.6 °C at 760 mmHg
• PKA: 3.18±0.10(Predicted)
• Flash Point: 184 °C
• PSA: 155.42000
• Density: 1.89 g/cm³
• LogP: 1.00350
• Solubility.: soluble in Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 207.94349090
• Heavy Atom Count: 11
• Complexity: 227

Purity/Quality:

98%,99%, ^*data from raw suppliers

(5-Mercapto-1,3,40thiadiazol-2-ylthio)aceticAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)SC1=NNC(=S)S1
• Uses: thiadiazole pharmaceutical intermediate

Technology Process of (5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic Acid

There total 6 articles about (5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic 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:

ethyl bromoacetate (105-36-2) + 2,5-Dimercapto-1,3,4-thiadiazole (1072-71-5,132120-63-9) → [(5-mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid (53723-88-9)

Guidance literature:

With hydrogenchloride; potassium hydroxide; sodium hydroxide; In ethanol;

Reference yield:

bis(carboxymethyl)trithiocarbonate (6326-83-6) + hydrazine (302-01-2,78206-91-4,119775-10-9,75013-58-0) → [(5-mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid (53723-88-9)

Guidance literature:

Reference yield:

→ [(5-mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid (53723-88-9)

Guidance literature:

2,5-Dimercapto-thiadiazol, Chloressigsaeure;

upstream raw materials:

bis(carboxymethyl)trithiocarbonate

chloroacetic acid

diethyl trithiocarbonate

sodium monochloroacetic acid

Downstream raw materials:

2,2'-[1,3,4-thiadiazole-2,5-diylbis(thio)]diacetic acid

[[5-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-propyl]thio]-1,3,4-thiadiazol-2-yl]thio] acetic acid