4-ethyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-ethyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol
• CAS No.: 438231-11-9
• Molecular Formula: C₉H₁₀N₄S
• Molecular Weight: 206.271
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40395447
• Nikkaji Number: J2.410.669A
• Wikidata: Q82195551
• Mol file: 438231-11-9.mol

Synonyms:4-ethyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol;438231-11-9;4-ethyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione;4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol;SCHEMBL19549092;DTXSID40395447;BBL013350;MFCD03075386;STK400976;AKOS000268499;AKOS030240307;VS-03772;CS-0308194;EU-0083273;EN300-110595;SR-01000086011;SR-01000086011-1;4-Ethyl-5-pyridin-2-yl-4H-[1,2,4]triazole-3-thiol;Z275132490;2,4-Dihydro-4-ethyl-5-(2-pyridinyl)-3H-1,2,4-triazole-3-thione;4-Ethyl-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

Chemical Property:

• Vapor Pressure: 0.000656mmHg at 25°C
• Boiling Point: 309°C at 760 mmHg
• Flash Point: 140.7°C
• PSA: 82.40000
• Density: 1.34g/cm³
• LogP: 1.64870
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.06261751
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

98%min ^*data from raw suppliers

4-ethyl-5-pyridin-2-yl-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)C2=CC=CC=N2

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

There total 4 articles about 4-ethyl-5-pyridin-2-yl-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:

Nicotinic acid hydrazide (553-53-7) + Ethyl isothiocyanate (542-85-8) → C9H10N4S (438231-11-9)

Guidance literature:

Nicotinic acid hydrazide; Ethyl isothiocyanate; at 150 ℃; for 0.25h; Microwave irradiation;

With potassium carbonate; In water; for 16h; Reflux;

DOI:10.1016/j.bmcl.2014.04.081

Reference yield:

picolinic acid hydrazide (1452-63-7) → C9H10N4S (438231-11-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.25 h / 150 °C / Microwave irradiation

2: potassium carbonate / water / 16 h / Reflux

With potassium carbonate; In water;

DOI:10.1016/j.bmcl.2014.04.081

Reference yield:

C9H12N4OS → C9H10N4S (438231-11-9)

Guidance literature:

With potassium carbonate; In water; for 16h; Reflux;

DOI:10.1016/j.bmcl.2014.04.081

upstream raw materials:

methyl 3-pyridinecarboxylate

Nicotinic acid hydrazide

Ethyl isothiocyanate

picolinic acid hydrazide

Downstream raw materials:

C₂₀H₂₃N₅OS