5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one

Base Information

Chemical Name:5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one
CAS No.:97051-26-8
Molecular Formula:C8H5N3O3S
Molecular Weight:223.20900
Hs Code.:
DSSTox Substance ID:DTXSID50540784
Wikidata:Q82416897

Synonyms:97051-26-8;5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one;SCHEMBL7319233;DTXSID50540784

Suppliers and Price of 5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one

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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Total 0 raw suppliers

Chemical Property of 5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one

Chemical Property:

Melting Point:197-198 °C
PSA：120.07000
Density:1.70±0.1 g/cm3(Predicted)
LogP:2.34210
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:223.00516220
Heavy Atom Count:15
Complexity:318

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NNC(=O)S2)[N+](=O)[O-]

Technology Process of 5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one

There total 1 articles about 5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one 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: 54.0%

: 97051-25-7
2-Ethanesulfonyl-5-(4-nitro-phenyl)-[1,3,4]thiadiazole

: 97051-26-8
5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one

Guidance literature:: With sodium hydroxide; In water; for 0.5h; Heating;

Reference yield: 70.0%

: 97051-26-8
5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one

: 106-96-7
propargyl bromide

: 97051-29-1
5-(4-Nitro-phenyl)-3-prop-2-ynyl-3H-[1,3,4]thiadiazol-2-one

Guidance literature:: With potassium hydroxide; In ethanol; for 1h; Heating;

Reference yield:

: 97051-26-8
5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-one

: 97051-12-2
5-(4-Nitro-phenyl)-3-(4-pyrrolidin-1-yl-but-2-ynyl)-3H-[1,3,4]thiadiazol-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / potassium hydroxide / ethanol / 1 h / Heating

2: 41 percent / CuCl / dioxane / 3 h / 70 °C

With potassium hydroxide; copper(l) chloride; In 1,4-dioxane; ethanol;