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

Base Information

Chemical Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(2-fluorophenyl)-
CAS No.:110623-32-0
Molecular Formula:C₁₀H₁₀FN₃S
Molecular Weight:223.274
Hs Code.:
DSSTox Substance ID:DTXSID50149332
Wikidata:Q83015085
ChEMBL ID:CHEMBL418748
Mol file:110623-32-0.mol

Synonyms:110623-32-0;BRN 6725163;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(2-fluorophenyl)-;2,4-Dihydro-2,4-dimethyl-5-(2-fluorophenyl)-3H-1,2,4-triazole-3-thione;CHEMBL418748;SCHEMBL7297002;DTXSID50149332;LS-156198

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

Chemical Property:

Vapor Pressure:0.0046mmHg at 25°C
Boiling Point:277.1°Cat760mmHg
Flash Point:121.4°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:305

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN(C1=S)C)C2=CC=CC=C2F

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

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

: C₁₀H₁₂FN₃OS

: 110623-32-0
5-(2-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:

: 393-52-2
2-Fluorobenzoyl chloride

: 110623-32-0
5-(2-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