3,5-Bis(4-methylphenyl)-1,2,4-thiadiazole

Base Information

• Chemical Name: 3,5-Bis(4-methylphenyl)-1,2,4-thiadiazole
• CAS No.: 17590-34-0
• Molecular Formula: C16H14N2S
• Molecular Weight: 266.367
• ChEMBL ID: CHEMBL1939539
• DSSTox Substance ID: DTXSID60408528
• Nikkaji Number: J1.168.795D
• Wikidata: Q82214033
• Mol file: 17590-34-0.mol

Synonyms:3,5-bis(4-methylphenyl)-1,2,4-thiadiazole;CHEMBL1939539;17590-34-0;DTXSID60408528;BDBM50361965

Chemical Property of 3,5-Bis(4-methylphenyl)-1,2,4-thiadiazole

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 266.08776963
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NSC(=N2)C3=CC=C(C=C3)C

Technology Process of 3,5-Bis(4-methylphenyl)-1,2,4-thiadiazole

There total 15 articles about 3,5-Bis(4-methylphenyl)-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: 100.0%

4-methylthiobenzamide (2362-62-1) + methyl 2-bromo-2-cyanoacetate (31253-11-9) → 3,5-di-p-tolyl-[1,2,4]thiadiazole (17590-34-0)

Guidance literature:

In methanol; at 20 ℃;

DOI:10.1016/j.tetlet.2011.07.068

Reference yield: 99.0%

4-methylthiobenzamide (2362-62-1) → 3,5-di-p-tolyl-[1,2,4]thiadiazole (17590-34-0)

Guidance literature:

With 1,3-dibromo-5,5-diphenylimidazolidine-2,4-dione; water; at 20 ℃; for 0.0833333h; neat (no solvent);

DOI:10.1080/00397911.2010.515368

Reference yield: 89.0%

4-methylthiobenzamide (2362-62-1) + 2-bromo-1-phenyl-1,3-butanedione (57626-33-2) → 3,5-di-p-tolyl-[1,2,4]thiadiazole (17590-34-0)

Guidance literature:

In ethanol; for 0.0833333h; Irradiation; Green chemistry;

DOI:10.1080/17415993.2021.2005064

upstream raw materials:

4-methylthiobenzamide

N-{thio p-toluoyl} p-tolamidine

para-methylbenzonitrile

5-(p-tolyl)-1,3,4-oxathiazol-2-one