1H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)-

Base Information

Chemical Name:1H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)-
CAS No.:144165-20-8
Molecular Formula:C10H10 F N3 S
Molecular Weight:223.2699
Hs Code.:
DSSTox Substance ID:DTXSID70932248
Nikkaji Number:J577.069F
Wikidata:Q82907925
ChEMBL ID:CHEMBL278577
Mol file:144165-20-8.mol

Synonyms:144165-20-8;1H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)-;3-(3-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole;5-(3-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole;4H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)-;CHEMBL278577;DTXSID70932248;LS-156014;3-(3-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole;3-(Methylthio)-4-methyl-5-(3-fluorophenyl)-4H-1,2,4-triazole

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

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 1H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)-

Chemical Property:

Vapor Pressure:2.32E-06mmHg at 25°C
Boiling Point:392.3°Cat760mmHg
Flash Point:191°C
Density:1.29g/cm³
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:223.05794667
Heavy Atom Count:15
Complexity:217

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN=C1SC)C2=CC(=CC=C2)F

Technology Process of 1H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)-

There total 3 articles about 1H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)- 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%

: 144165-22-0
5-(3-fluorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

: 74-88-4
methyl iodide

: 144165-20-8
3-(3-Fluoro-phenyl)-4-methyl-5-methylsulfanyl-4H-[1,2,4]triazole

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

Reference yield:

: 1711-07-5
3-fluorobenzoyl chloride

: 144165-20-8
3-(3-Fluoro-phenyl)-4-methyl-5-methylsulfanyl-4H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 46 percent / pyridine / 17 h / Ambient temperature

2: 47 percent / 1M aq. NaHCO₃ / 24 h / Heating

3: 72 percent / aq. NaOH / ethanol / Ambient temperature

With pyridine; sodium hydroxide; sodium hydrogencarbonate; In ethanol;

Reference yield:

: 154106-07-7
1-(3-fluorobenzoyl)-4-methylthiosemicarbazide

: 144165-20-8
3-(3-Fluoro-phenyl)-4-methyl-5-methylsulfanyl-4H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 47 percent / 1M aq. NaHCO₃ / 24 h / Heating

2: 72 percent / aq. NaOH / ethanol / Ambient temperature

With sodium hydroxide; sodium hydrogencarbonate; In ethanol;