1H-1,2,4-Triazole, 5-(methylthio)-1-phenyl-3-(trifluoromethyl)-

Base Information

Chemical Name:1H-1,2,4-Triazole, 5-(methylthio)-1-phenyl-3-(trifluoromethyl)-
CAS No.:89522-03-2
Molecular Formula:C₁₀H₈F₃N₃S
Molecular Weight:259.255
Hs Code.:
DSSTox Substance ID:DTXSID80523621
Wikidata:Q82389835

Synonyms:89522-03-2;1H-1,2,4-Triazole, 5-(methylthio)-1-phenyl-3-(trifluoromethyl)-;DTXSID80523621;MENFNKHKBIQYGK-UHFFFAOYSA-N;5-(Methylsulfanyl)-1-phenyl-3-(trifluoromethyl)-1H-1,2,4-triazole

Suppliers and Price of 1H-1,2,4-Triazole, 5-(methylthio)-1-phenyl-3-(trifluoromethyl)-

Supply Marketing:

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

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Chemical Property of 1H-1,2,4-Triazole, 5-(methylthio)-1-phenyl-3-(trifluoromethyl)-

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:259.03910293
Heavy Atom Count:17
Complexity:256

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1H-1,2,4-Triazole, 5-(methylthio)-1-phenyl-3-(trifluoromethyl)-

There total 4 articles about 1H-1,2,4-Triazole, 5-(methylthio)-1-phenyl-3-(trifluoromethyl)- 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: 39.0%

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

: 89521-98-2
2-phenyl-3-methylisothiosemicarbazide

: 89522-03-2
1-phenyl-3-trifluoromethyl-5-methylthio-1,2,4-triazole

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

Reference yield:

: 100-63-0
phenylhydrazine

: 89522-03-2
1-phenyl-3-trifluoromethyl-5-methylthio-1,2,4-triazole

Guidance literature:: Multi-step reaction with 4 steps

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

2: 60 percent / hydrogen sulfide, triethylamine / ethanol / 5 °C / ice bath, overnight

3: 99 percent / methanol / 2 h / 66 °C

4: 39 percent / tetrahydrofuran / 3 h / Heating

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

Reference yield:

: 53483-25-3
2-phenyl-carbazonitrile

: 89522-03-2
1-phenyl-3-trifluoromethyl-5-methylthio-1,2,4-triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 60 percent / hydrogen sulfide, triethylamine / ethanol / 5 °C / ice bath, overnight

2: 99 percent / methanol / 2 h / 66 °C

3: 39 percent / tetrahydrofuran / 3 h / Heating

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