2-Methyl-1,3,4-thiadiazole

Base Information

• Chemical Name: 2-Methyl-1,3,4-thiadiazole
• CAS No.: 26584-42-9
• Molecular Formula: C₃H₄N₂S
• Molecular Weight: 100.144
• DSSTox Substance ID: DTXSID70558402
• Wikidata: Q82440688

Synonyms:2-methyl-1,3,4-thiadiazole;26584-42-9;5-methyl-1,3,4-thiadiazole;SCHEMBL47205;DTXSID70558402;RQSCFNPNNLWQBJ-UHFFFAOYSA-N

Chemical Property of 2-Methyl-1,3,4-thiadiazole

Chemical Property:

• Refractive Index: 1.5500 (estimate)
• PSA: 54.02000
• Density: 1.2944 (rough estimate)
• LogP: 0.84650
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 100.00951931
• Heavy Atom Count: 6
• Complexity: 48.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=CS1

Technology Process of 2-Methyl-1,3,4-thiadiazole

There total 2 articles about 2-Methyl-1,3,4-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:

2,3-dimethyl-buta-1,3-diene (513-81-5) + 2-(5-methyl)-1,3,4-thiadiazolyl phenacyl sulfoxide → 5-methyl-1,3,4-thiadiazole (26584-42-9) + trans-2-benzoyl-3,6-dihydro-4,5-dimethyl-2H-thiapyran 1-oxide (96745-96-9)

Guidance literature:

In 1,4-dioxane; at 100 ℃; for 3h;

DOI:10.1021/jo990610l

Reference yield:

2,3-dimethyl-buta-1,3-diene (513-81-5) + 2-(5-methyl)-1,3,4-thiadiazolyl phenacyl sulfoxide → 5-methyl-1,3,4-thiadiazole (26584-42-9) + trans-2-benzoyl-3,6-dihydro-4,5-dimethyl-2H-thiapyran 1-oxide (96745-96-9) + cis-2-benzoyl-3,6-dihydro-4,5-dimethyl-2H-thiapyran 1-oxide (96745-95-8)

Guidance literature:

In 1,4-dioxane; at 100 ℃; for 16h;

DOI:10.1021/jo990610l

upstream raw materials:

2,3-dimethyl-buta-1,3-diene

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