3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

Base Information

Chemical Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-
CAS No.:110623-34-2
Molecular Formula:C10H10 F N3 S
Molecular Weight:223.2699
Hs Code.:
DSSTox Substance ID:DTXSID70149334
Wikidata:Q83015087
ChEMBL ID:CHEMBL22946
Mol file:110623-34-2.mol

Synonyms:110623-34-2;BRN 5037884;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-;2,4-Dihydro-2,4-dimethyl-5-(4-fluorophenyl)-3H-1,2,4-triazole-3-thione;CHEMBL22946;SCHEMBL7299383;DTXSID70149334;LS-156200

Suppliers and Price of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

Supply Marketing:

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

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Chemical Property of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

Chemical Property:

Vapor Pressure:0.00648mmHg at 25°C
Boiling Point:271.4°Cat760mmHg
Flash Point:117.9°C
Density:1.29g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:223.05794667
Heavy Atom Count:15
Complexity:297

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN(C1=S)C)C2=CC=C(C=C2)F

Technology Process of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

There total 4 articles about 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- 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%

: 116114-16-0
5-(4-Fluoro-phenyl)-2,4-dimethyl-2,4-dihydro-[1,2,4]triazol-3-one

: 110623-34-2
5-(4-fluorophenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione

Guidance literature:: With bis(tricyclohexyltin)sulfide; boron trichloride; In dichloromethane; toluene; for 17h; Heating;
DOI:10.1055/s-1987-28119

Reference yield:

: 110623-53-5
1-(4-fluorobenzoyl)-2,4-dimethylthiosemicarbazide

: 110623-34-2
5-(4-fluorophenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione

Guidance literature:: With sodium hydrogencarbonate; In water; for 17h; Yield given; Heating;
DOI:10.1021/jm00401a031

Reference yield:

: 403-43-0
4-fluorobenzoyl chloride

: 110623-34-2
5-(4-fluorophenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 2 steps

1: CHCl₃ / Ambient temperature

2: 1M NaHCO₃ / H₂O / 17 h / Heating

With sodium hydrogencarbonate; In chloroform; water;
DOI:10.1021/jm00401a031