3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-

Base Information

Chemical Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-
CAS No.:114058-92-3
Molecular Formula:C11H12ClN3S
Molecular Weight:253.7511
Hs Code.:
DSSTox Substance ID:DTXSID90150644
Wikidata:Q83016805
ChEMBL ID:CHEMBL22293

Synonyms:BRN 5045061;114058-92-3;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-;2,4-Dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-3H-1,2,4-triazole-3-thione;CHEMBL22293;DTXSID90150644;LS-156182

Suppliers and Price of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-

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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price

Total 1 raw suppliers

Chemical Property of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-

Chemical Property:

Vapor Pressure:0.00037mmHg at 25°C
Boiling Point:318.1°Cat760mmHg
Flash Point:146.2°C
Density:1.29g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:253.0440463
Heavy Atom Count:16
Complexity:310

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=S)N(C(=N1)C2=CC=C(C=C2)Cl)C

Technology Process of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-

There total 3 articles about 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- 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: 65.0%

: 114058-88-7
5-(4-chlorophenyl)-2,4-dihydro-2-ethyl-4-methyl-3H-1,2,4-triazol-3-one

: 114058-92-3
5-(4-chlorophenyl)-2,4-dihydro-2-ethyl-4-methyl-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:

: 116114-20-6
5-(4-chlorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

: 114058-92-3
5-(4-chlorophenyl)-2,4-dihydro-2-ethyl-4-methyl-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 53 percent / 1M aq. NaOH / ethanol / 24 h / Ambient temperature

2: 65 percent / bis(tricyclohexylstannyl) sulfide, BCl₃ / toluene; CH₂Cl₂ / 17 h / Heating

With sodium hydroxide; bis(tricyclohexyltin)sulfide; boron trichloride; In ethanol; dichloromethane; toluene;
DOI:10.1055/s-1987-28119

Reference yield:

: 116114-17-1
2-(4-chlorobenzoyl)-N-methylhydrazinecarboxamide

: 114058-92-3
5-(4-chlorophenyl)-2,4-dihydro-2-ethyl-4-methyl-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 3 steps

1: 69 percent / 1M aq. NaOH / 23 h / Heating

2: 53 percent / 1M aq. NaOH / ethanol / 24 h / Ambient temperature

3: 65 percent / bis(tricyclohexylstannyl) sulfide, BCl₃ / toluene; CH₂Cl₂ / 17 h / Heating

With sodium hydroxide; bis(tricyclohexyltin)sulfide; boron trichloride; In ethanol; dichloromethane; toluene;
DOI:10.1055/s-1987-28119