3-Hydroxy-5-methylmercapto-1,2,4-thiadiazole

Base Information

• Chemical Name: 3-Hydroxy-5-methylmercapto-1,2,4-thiadiazole
• CAS No.: 56409-41-7
• Molecular Formula: C₃H₄N₂OS₂
• Molecular Weight: 148.21
• European Community (EC) Number: 670-607-9
• DSSTox Substance ID: DTXSID30374741
• Wikidata: Q82163316
• Mol file: 56409-41-7.mol

Synonyms:56409-41-7;3-Hydroxy-5-methylmercapto-1,2,4-thiadiazole;5-methylsulfanyl-1,2,4-thiadiazol-3-one;5-(Methylthio)-1,2,4-thiadiazol-3-ol;5-(methylthio)-1,2,4-thiadiazol-3-one;SCHEMBL6424422;DTXSID30374741;UOGIBRBPAGZREF-UHFFFAOYSA-N;MFCD00799290;AKOS006344762;3-hydroxy-5-methylthio-1,2,4-thiadiazole;FT-0640383;5-METHYLTHIO-[1,2,4]THIADIAZOL-3-OL W;A822617;A831035;3-hydroxy-5-methylmercapto-1,2,4-thiadiazole, AldrichCPR

Chemical Property of 3-Hydroxy-5-methylmercapto-1,2,4-thiadiazole

Chemical Property:

• Vapor Pressure: 3.59E-05mmHg at 25°C
• Melting Point: 158 °C
• Refractive Index: 1.773
• Boiling Point: 343.3 °C at 760 mmHg
• Flash Point: 161.4 °C
• PSA: 99.55000
• Density: 1.7 g/cm³
• LogP: 0.96560
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.97650510
• Heavy Atom Count: 8
• Complexity: 144

Purity/Quality:

98%Min ^*data from raw suppliers

5-(Methylthio)-1,2,4-thiadiazol-3-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=O)NS1

Technology Process of 3-Hydroxy-5-methylmercapto-1,2,4-thiadiazole

There total 4 articles about 3-Hydroxy-5-methylmercapto-1,2,4-thiadiazole 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: 40.0%

potassium cyanocarbonimidodithioate (13145-41-0) + dimethyl sulfate (77-78-1) → 3-Hydroxy-5-methylthio-1,2,4-thiadiazol (56409-41-7)

Guidance literature:

potassium cyanocarbonimidodithioate; dimethyl sulfate; In water; at 20 ℃; for 2h;

With hydrogenchloride; dihydrogen peroxide; In water; for 0.5h; pH=2 - 3;

Reference yield:

potassium cyanocarbonimidodithioate (13145-41-0) → 3-Hydroxy-5-methylthio-1,2,4-thiadiazol (56409-41-7)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; dimethyl sulfate; In water;

Reference yield:

methyl cyanamidodithiocarbonate (35042-86-5) → 3-Hydroxy-5-methylthio-1,2,4-thiadiazol (56409-41-7)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide;

upstream raw materials:

methyl cyanamidodithiocarbonate

potassium cyanocarbonimidodithioate

dimethyl sulfate

Refernces

• 1、 -. "Certain 2-carbamoyl-1,2,4-thiadiazole-3-one herbicides". . . Retrieved 2008/06/13.