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

Base Information

Chemical Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,4-difluorophenyl)-2,4-dimethyl-
CAS No.:110623-35-3
Molecular Formula:C₁₀H₉F₂N₃S
Molecular Weight:241.264
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30149335
Wikidata:Q83015088
ChEMBL ID:CHEMBL22642
Mol file:110623-35-3.mol

Synonyms:110623-35-3;BRN 6728236;5-(2,4-difluorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione;2,4-Dihydro-5-(2,4-difluorophenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,4-difluorophenyl)-2,4-dimethyl-;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,4-difluorophenyl)-2,4-dim ethyl-;CHEMBL22642;C10H9F2N3S;SCHEMBL7304540;DTXSID30149335;COGYAOKOKXLWSZ-UHFFFAOYSA-N;LS-156194

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

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
Packaging
price

American Custom Chemicals Corporation
2,4-DIHYDRO-5-(2,4-DIFLUOROPHENYL)-2,4-DIMETHYL-3H-1,2,4-TRIAZOLE-3-THIONE 95.00%
5MG
$ 503.21

Total 1 raw suppliers

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

Chemical Property:

Vapor Pressure:0.00787mmHg at 25°C
Melting Point:102-104 °C(Solv: cyclohexane (110-82-7))
Boiling Point:268°C at 760 mmHg
PKA:0.05±0.20(Predicted)
Flash Point:115.9°C
PSA：54.84000
Density:1.37g/cm³
LogP:2.43330
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:241.04852480
Heavy Atom Count:16
Complexity:334

Purity/Quality:: 2,4-DIHYDRO-5-(2,4-DIFLUOROPHENYL)-2,4-DIMETHYL-3H-1,2,4-TRIAZOLE-3-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

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

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

: C₁₀H₁₁F₂N₃OS

: 110623-35-3
5-(2,4-difluorophenyl)-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:

: 72482-64-5
2,4-difluorobenzoyl chloride

: 110623-35-3
5-(2,4-difluorophenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / Ambient temperature

2: 1M NaHCO₃ / H₂O / 17 h / Heating

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