3-[(cyanomethyl)sulfanyl]-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

Base Information

• Chemical Name: 3-[(cyanomethyl)sulfanyl]-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
• CAS No.: 24306-38-5
• Molecular Formula: C₇H₅N₃S₃
• Molecular Weight: 227.335
• Mol file: 24306-38-5.mol

Synonyms:3-[(cyanomethyl)sulfanyl]-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile;3-((Cyanomethyl)thio)-5-(methylthio)-4-isothiazolecarbonitrile;4-Isothiazolecarbonitrile,3-((cyanomethyl)thio)-5-(methylthio);

Chemical Property of 3-[(cyanomethyl)sulfanyl]-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

Chemical Property:

• Vapor Pressure: 0.000764mmHg at 25°C
• Melting Point: 126-128 °C
• Boiling Point: 306.6°Cat760mmHg
• PKA: -2.13±0.49(Predicted)
• Flash Point: 139.2°C
• PSA: 139.31000
• Density: 1.47g/cm³
• LogP: 2.35236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[(cyanomethyl)sulfanyl]-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

There total 1 articles about 3-[(cyanomethyl)sulfanyl]-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile 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:

3,5-bis(sodiomercapto)isothiazole-4-carbonitrile (2076-67-7) + chloroacetonitrile (107-14-2) + dimethyl sulfate (77-78-1) → 3-Cyanomethylsulfanyl-5-methylsulfanyl-isothiazole-4-carbonitrile (24306-38-5)

Guidance literature:

Yield given. Multistep reaction; 1) MeOH, 1 h, room temp.; 2) MeOH, water, 1 h;

Reference yield: 75.0%

3-Cyanomethylsulfanyl-5-methylsulfanyl-isothiazole-4-carbonitrile (24306-38-5) → 4-Amino-3-methylsulfanyl-thieno[2,3-c]isothiazole-5-carbonitrile (72436-89-6)

Guidance literature:

With sodium methylate; In methanol; for 0.5h;

upstream raw materials:

3,5-bis(sodiomercapto)isothiazole-4-carbonitrile

chloroacetonitrile

dimethyl sulfate

Downstream raw materials:

4-Amino-3-methylsulfanyl-thieno[2,3-c]isothiazole-5-carbonitrile

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