3-Methyl-5-(methylthio)-4h-1,2,4-triazol-4-amine

Base Information

• Chemical Name: 3-Methyl-5-(methylthio)-4h-1,2,4-triazol-4-amine
• CAS No.: 65901-92-0
• Molecular Formula: C4H8N4S
• Molecular Weight: 144.19800
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40400883
• Wikidata: Q82203947
• Mol file: 65901-92-0.mol

Synonyms:65901-92-0;3-methyl-5-(methylthio)-4h-1,2,4-triazol-4-amine;3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine;SBB021734;3-Methyl-5-methylsulfanyl-[1,2,4]triazol-4-ylamine;DTXSID40400883;STK347218;AKOS000296160

Chemical Property of 3-Methyl-5-(methylthio)-4h-1,2,4-triazol-4-amine

Chemical Property:

• PSA: 82.03000
• LogP: 0.60340
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 144.04696745
• Heavy Atom Count: 9
• Complexity: 98.6

Purity/Quality:

3-Methyl-5-(methylthio)-4H-1,2,4-triazol-4-amine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(N1N)SC

Technology Process of 3-Methyl-5-(methylthio)-4h-1,2,4-triazol-4-amine

There total 3 articles about 3-Methyl-5-(methylthio)-4h-1,2,4-triazol-4-amine 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:

dimethyl chlorothiophosphate (2524-03-0) + 3-methyl-4-amino-5-mercapto-1,2,4-triazole (20939-15-5) → 3-Methyl-4-amino-5-methylmercapto-1,2,4-triazol (65901-92-0) + 4-amino-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (30094-52-1)

Guidance literature:

With potassium carbonate; In acetone; for 12h; Heating;

Reference yield:

4-amino-5-methyl-2,4-dihydro-[1,2,4]triazole-3-thione (20939-15-5,121761-38-4) + methyl iodide (74-88-4) → 3-Methyl-4-amino-5-methylmercapto-1,2,4-triazol (65901-92-0)

Guidance literature:

DOI:10.1039/jr9520004811

Reference yield:

→ 3-Methyl-4-amino-5-methylmercapto-1,2,4-triazol (65901-92-0)

Guidance literature:

Triazol 5, CH2N2;

DOI:10.1002/oms.1210121009

upstream raw materials:

4-amino-5-methyl-2,4-dihydro-[1,2,4]triazole-3-thione

methyl iodide

dimethyl chlorothiophosphate

3-methyl-4-amino-5-mercapto-1,2,4-triazole

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