5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole

Base Information

Chemical Name:5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole
CAS No.:74074-44-5
Molecular Formula:C9H8ClN3S
Molecular Weight:225.702
Hs Code.:
ChEMBL ID:CHEMBL225663
DSSTox Substance ID:DTXSID10502969
Wikidata:Q82356415

Synonyms:74074-44-5;CHEMBL225663;SCHEMBL6266704;DTXSID10502969;5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole;AKOS004077635

Suppliers and Price of 5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole

Supply Marketing:

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

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Chemical Property of 5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:225.0127461
Heavy Atom Count:14
Complexity:193

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=NNC(=N1)C2=CC=CC=C2Cl

Technology Process of 5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole

There total 3 articles about 5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole 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: 81.0%

: 74074-22-9
N-(Bis-methylsulfanyl-methylene)-2-chloro-benzamide

: 74074-44-5
3-(2-Chloro-phenyl)-5-methylsulfanyl-1H-[1,2,4]triazole

Guidance literature:: With hydrazine hydrate; In ethanol; for 3h; Heating;
DOI:10.1055/s-1981-29525

Reference yield: 55.0%

: 74074-22-9
N-(Bis-methylsulfanyl-methylene)-2-chloro-benzamide

: 74074-44-5
5-(2-Chloro-phenyl)-3-methylsulfanyl-1H-[1,2,4]triazole

Guidance literature:: With hydrazine hydrate; In methanol; 1) r.t., 48 h; 2) reflux, 2 h;

Reference yield:

: 7047-16-7
(2-chloro-benzoyl)-dithiocarbamic acid methyl ester

: 74074-44-5
5-(2-Chloro-phenyl)-3-methylsulfanyl-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 2 steps

2: 55 percent / 72percent N₂H₄*H₂O / methanol / 1) r.t., 48 h; 2) reflux, 2 h

With hydrazine hydrate; In methanol;