1-(4-Fluorophenyl)-5-(methylsulfanyl)-3-(trifluoromethyl)-1H-1,2,4-triazole

Base Information

Chemical Name:1-(4-Fluorophenyl)-5-(methylsulfanyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CAS No.:89522-04-3
Molecular Formula:C₁₀H₇F₄N₃S
Molecular Weight:277.245
Hs Code.:
DSSTox Substance ID:DTXSID40523622
Wikidata:Q82389838

Synonyms:89522-04-3;DTXSID40523622;1-(4-Fluorophenyl)-5-(methylsulfanyl)-3-(trifluoromethyl)-1H-1,2,4-triazole

Suppliers and Price of 1-(4-Fluorophenyl)-5-(methylsulfanyl)-3-(trifluoromethyl)-1H-1,2,4-triazole

Supply Marketing:

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

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Chemical Property of 1-(4-Fluorophenyl)-5-(methylsulfanyl)-3-(trifluoromethyl)-1H-1,2,4-triazole

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:277.02968106
Heavy Atom Count:18
Complexity:281

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=NC(=NN1C2=CC=C(C=C2)F)C(F)(F)F

Technology Process of 1-(4-Fluorophenyl)-5-(methylsulfanyl)-3-(trifluoromethyl)-1H-1,2,4-triazole

There total 4 articles about 1-(4-Fluorophenyl)-5-(methylsulfanyl)-3-(trifluoromethyl)-1H-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: 85.0%

: 758-42-9
1,1,1-trichloro-3,3,3-trifluoro-propan-2-one

: 89521-99-3
2-(4-fluorophenyl)-3-methylisothiosemicarbazide

: 89522-04-3
1-(4-fluorophenyl)-3-trifluoromethyl-5-methylthio-1,2,4-triazole

Guidance literature:: In tetrahydrofuran; for 3h; Heating;

Reference yield:

: 89521-87-9
1-(4-fluorophenyl)hydrazine-1-carbonitrile

: 89522-04-3
1-(4-fluorophenyl)-3-trifluoromethyl-5-methylthio-1,2,4-triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / hydrogen sulfide, triethylamine / ethanol / 5 °C / ice bath, overnight

2: 71 percent / methanol / 2 h / 66 °C / pH=9

3: 85 percent / tetrahydrofuran / 3 h / Heating

With hydrogen sulfide; triethylamine; In tetrahydrofuran; methanol; ethanol;

Reference yield:

: 371-14-2
4-fluorophenylhydrazine

: 89522-04-3
1-(4-fluorophenyl)-3-trifluoromethyl-5-methylthio-1,2,4-triazole

Guidance literature:: Multi-step reaction with 4 steps

1: 47 percent / NaOH / aq. ethanol / 20 h / Ambient temperature

2: 82 percent / hydrogen sulfide, triethylamine / ethanol / 5 °C / ice bath, overnight

3: 71 percent / methanol / 2 h / 66 °C / pH=9

4: 85 percent / tetrahydrofuran / 3 h / Heating

With sodium hydroxide; hydrogen sulfide; triethylamine; In tetrahydrofuran; methanol; ethanol;