4-ethyl-5-methyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-ethyl-5-methyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 6232-85-5
• Molecular Formula: C5H9N3S
• Molecular Weight: 143.21
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80394237
• Nikkaji Number: J364.675K
• Wikidata: Q82193511
• Mol file: 6232-85-5.mol

Synonyms:4-ethyl-5-methyl-4H-1,2,4-triazole-3-thiol;6232-85-5;4-ethyl-3-methyl-1H-1,2,4-triazole-5-thione;4-ethyl-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;SCHEMBL11839359;DTXSID80394237;MFCD03423400;STK231195;STK769134;AKOS000283273;AKOS001777750;AT31113;LS-01244;BB 0242672;CS-0253534;EN300-64656;4-Ethyl-5-methyl-3-mercapto-4H-1,2,4-triazole;4-Ethyl-5-methyl-4H-[1,2,4]triazole-3-thiol

Chemical Property of 4-ethyl-5-methyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 1.3mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 173°C at 760 mmHg
• Flash Point: 58.4°C
• PSA: 69.51000
• Density: 1.28g/cm³
• LogP: 0.89510
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 143.05171847
• Heavy Atom Count: 9
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

4-ethyl-5-methyl-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=NNC1=S)C

Technology Process of 4-ethyl-5-methyl-4H-1,2,4-triazole-3-thiol

There total 4 articles about 4-ethyl-5-methyl-4H-1,2,4-triazole-3-thiol 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: 72.0%

1-acetyl-4-ethyl thiosemicarbazide (31483-83-7) → 5-mercapto-3-methyl-4-ethyl-{1,2,4}triazole (6232-85-5)

Guidance literature:

With sodium hydroxide; for 0.5h; Heating;

Reference yield:

N-ethylthiosemicarbazide (13431-34-0) + acetyl chloride (75-36-5) → 5-mercapto-3-methyl-4-ethyl-{1,2,4}triazole (6232-85-5)

Guidance literature:

N-ethylthiosemicarbazide; acetyl chloride; With pyridine; at 20 ℃;

With sodium hydroxide; at 100 ℃; for 4h;

Reference yield:

1-acetyl-4-ethyl thiosemicarbazide (31483-83-7) → 5-thioxo-1,4-dihydro-4-ethyl-3-methyl-1,2,4-triazole (6232-85-5)

Guidance literature:

With sodium ethanolate;

DOI:10.1039/jr9590003789

upstream raw materials:

1-acetyl-4-ethyl thiosemicarbazide

N-ethylthiosemicarbazide

acetyl chloride

Downstream raw materials:

(4-ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid