3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,6-dichlorophenyl)-2,4-dimethyl-

Base Information

Chemical Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,6-dichlorophenyl)-2,4-dimethyl-
CAS No.:110623-31-9
Molecular Formula:C₁₀H₉Cl₂N₃S
Molecular Weight:274.174
Hs Code.:
DSSTox Substance ID:DTXSID90149331
Wikidata:Q83015083
ChEMBL ID:CHEMBL22423
Mol file:110623-31-9.mol

Synonyms:110623-31-9;BRN 6728536;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,6-dichlorophenyl)-2,4-dimethyl-;2,4-Dihydro-5-(2,6-dichlorophenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione;CHEMBL22423;DTXSID90149331;LS-156192

Suppliers and Price of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,6-dichlorophenyl)-2,4-dimethyl-

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-5-(2,6-dichlorophenyl)-2,4-dimethyl-

Chemical Property:

Vapor Pressure:8.56E-05mmHg at 25°C
Boiling Point:340.5°Cat760mmHg
Flash Point:159.7°C
Density:1.45g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:272.9894239
Heavy Atom Count:16
Complexity:324

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN(C1=S)C)C2=C(C=CC=C2Cl)Cl

Technology Process of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,6-dichlorophenyl)-2,4-dimethyl-

There total 2 articles about 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2,6-dichlorophenyl)-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:

: C₁₀H₁₁Cl₂N₃OS

: 110623-31-9
5-(2,6-Dichloro-phenyl)-2,4-dimethyl-2,4-dihydro-[1,2,4]triazole-3-thione

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

Reference yield:

: 4659-45-4
2,6-Dichlorobenzoyl chloride

: 110623-31-9
5-(2,6-Dichloro-phenyl)-2,4-dimethyl-2,4-dihydro-[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