Dimethyl-1,2,4-thiadiazole

Base Information

• Chemical Name: Dimethyl-1,2,4-thiadiazole
• CAS No.: 4115-14-4
• Molecular Formula: C4H6N2S
• Molecular Weight: 114.171
• Hs Code.: 2934999090
• European Community (EC) Number: 959-650-7
• Nikkaji Number: J770.235C
• Mol file: 4115-14-4.mol

Synonyms:Dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;4115-14-4;SCHEMBL30693;3,5-dimethyl-[1,2,4]thiadiazole;EN300-343514

Chemical Property of Dimethyl-1,2,4-thiadiazole

Chemical Property:

• Melting Point: 146-148 °C
• Boiling Point: 140-145 °C
• PSA: 0.00000
• Density: 1.166±0.06 g/cm3(Predicted)
• LogP: 2.20330
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 114.02516937
• Heavy Atom Count: 7
• Complexity: 66.7

Purity/Quality:

95% ^*data from raw suppliers

3,5-Dimethyl-1,2,4-thiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NSC(=N1)C

Technology Process of Dimethyl-1,2,4-thiadiazole

There total 7 articles about Dimethyl-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: 87.0%

thioacetamide (62-55-5) → 3,5-dimethyl-1,2,4-thiadiazole (4115-14-4)

Guidance literature:

With eosin; In N,N-dimethyl-formamide; at 20 ℃; for 5h; Irradiation;

DOI:10.1055/s-0032-1318158

Reference yield:

thioacetamide (62-55-5) → 3,5-dimethyl-1,2,4-thiadiazole (4115-14-4) + acetonitrile (75-05-8,26809-02-9)

Guidance literature:

With 9-molybdo-3-vanadophosphoric acid; oxygen; In ethanol; at 30 ℃; for 3h; under 760.051 Torr; Green chemistry;

DOI:10.1039/c4cc02313g

Reference yield:

thioacetamide (62-55-5) → acetic acid (64-19-7,77671-22-8) + 3,5-dimethyl-1,2,4-thiadiazole (4115-14-4) + acetonitrile (75-05-8,26809-02-9)

Guidance literature:

With sodium persulfate; In water; at 80 - 85 ℃; for 3h; Product distribution;

DOI:10.1007/BF00955376

upstream raw materials:

thioacetamide

(3-methyl-[1,2,4]thiadiazol-5-yl)-malonic acid di-tert-butyl ester

(3-methyl-[1,2,4]thiadiazol-5-yl)-acetic acid

acetonitrile

Downstream raw materials:

3-methyl-5-(4-nitro-styryl)-[1,2,4]thiadiazole

Refernces

• 1、 Srivastava, Vishnup.,Yadav, Arvindk.,Yadav, Laldhar S.. "Eosin y catalyzed visible-light-driven aerobic oxidative cyclization of thioamides to 1,2,4-thiadiazoles". . p. 465 - 470. Retrieved 2013/04/10.
• 2、 Troyanskii, E. I.,Lazareva, M. I.,Demchuk, D. V.,Nikishin, G. I.. "OXIDATION OF ALIPHATIC THIOAMIDES IN A SODIUM PEROXYDISULFATE-CUPRIC CHLORIDE SYSTEM". . p. 1036 - 1041. Retrieved 2007/10/02.