3-(Ethylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole

Base Information

Chemical Name:3-(Ethylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole
CAS No.:116850-61-4
Molecular Formula:C11H13 N3 S
Molecular Weight:219.306
Hs Code.:
DSSTox Substance ID:DTXSID20151548
Nikkaji Number:J577.050E
Wikidata:Q83018020
ChEMBL ID:CHEMBL25140
Mol file:116850-61-4.mol

Synonyms:116850-61-4;3-(Ethylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole;4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-;CHEMBL25140;SCHEMBL9224636;DTXSID20151548;AKOS017012428;LS-156008;AB00999289-01;Z20253878;3-(ethylsulfanyl)-4-methyl-5-phenyl-4H-1,2,4-triazole

Suppliers and Price of 3-(Ethylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 3-(Ethylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole

Chemical Property:

Vapor Pressure:1.61E-06mmHg at 25°C
Boiling Point:397.2°Cat760mmHg
Flash Point:194°C
Density:1.18g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:219.08301860
Heavy Atom Count:15
Complexity:194

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSC1=NN=C(N1C)C2=CC=CC=C2

Technology Process of 3-(Ethylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole

There total 4 articles about 3-(Ethylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole 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: 68.0%

: 38942-51-7
4-methyl-3-phenyl-1H-1,2,4-triazole-5(4H)-thione

: 75-03-6
ethyl iodide

: 116850-61-4
5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole

Guidance literature:: With sodium hydroxide; In ethanol; Ambient temperature;

Reference yield:

: 58064-65-6
1-(phenyl)carbonyl-4-(methyl)thiosemicarbazide

: 116850-61-4
5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / 1M aq. NaHCO₃ / 24 h / Heating

2: 68 percent / aq. NaOH / ethanol / Ambient temperature

With sodium hydroxide; sodium hydrogencarbonate; In ethanol;

Reference yield:

: 613-94-5
benzoic acid hydrazide

: 116850-61-4
5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 69 percent / tetrahydrofuran / 2 h / Heating

2: 60 percent / 1M aq. NaHCO₃ / 24 h / Heating

3: 68 percent / aq. NaOH / ethanol / Ambient temperature

With sodium hydroxide; sodium hydrogencarbonate; In tetrahydrofuran; ethanol;