5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Base Information

Chemical Name:5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS No.:6219-47-2
Molecular Formula:C8H6N4O2S
Molecular Weight:222.227
Hs Code.:
DSSTox Substance ID:DTXSID70389359
Nikkaji Number:J1.098.478E
Wikidata:Q82185086
ChEMBL ID:CHEMBL1935511

Synonyms:6219-47-2;5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;5-(3-nitrophenyl)-1,2-dihydro-1,2,4-triazole-3-thione;5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol;3-(3-Nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione;CHEMBL1935511;SCHEMBL18526802;DTXSID70389359;MFCD01422987;STK144796;STL296643;AKOS003234767;AKOS003245682;LS-04207;CS-0331610;AB00684071-01;5-(3-Nitrophenyl)-1H-1,2,4-triazole-3-thiol;SR-01000480489;SR-01000480489-1;3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

Suppliers and Price of 5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

Total 6 raw suppliers

Chemical Property of 5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:222.02114662
Heavy Atom Count:15
Complexity:325

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=S)NN2

Technology Process of 5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

: 886-29-3
1-(3-nitrobenzoyl)-3-thiosemicarbazide

: 6219-47-2
5-(3-nitro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione

Guidance literature:: With potassium hydroxide; for 3h; Heating;

Reference yield:

: 79-19-6
thiosemicarbazide

: 121-90-4
m-nitrobenzoic acid chloride

: 6219-47-2
5-(3-nitro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione

: 5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: thiosemicarbazide; m-nitrobenzoic acid chloride; With pyridine; at 20 ℃; for 16h;

With water; sodium hydroxide; at 100 ℃; for 3h; Further stages;

Reference yield:

: 121-90-4
m-nitrobenzoic acid chloride

: 6219-47-2
5-(3-nitro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione

Guidance literature:: Multi-step reaction with 2 steps

1: propan-2-ol / 2 h / Heating

2: aq. KOH (10 percent) / 3 h / Heating

With potassium hydroxide; In isopropyl alcohol; 1: Acylation / 2: Cyclization;