1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-

Base Information

Chemical Name:1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-
CAS No.:345631-77-8
Molecular Formula:C₇H₅N₃OS
Molecular Weight:179.202
Hs Code.:
DSSTox Substance ID:DTXSID90188104
ChEMBL ID:CHEMBL38498

Synonyms:1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-;345631-77-8;CHEMBL38498;DTXSID90188104;AKOS012255607;3-(4-pyridyl)-4H-1,2,4-oxadiazole-5-thione

Suppliers and Price of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-

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 1 raw suppliers

Chemical Property of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-

Chemical Property:

Vapor Pressure:0.00524mmHg at 25°C
Boiling Point:274.9°Cat760mmHg
Flash Point:120.1°C
Density:1.52g/cm³
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:179.01533297
Heavy Atom Count:12
Complexity:223

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN=CC=C1C2=NC(=S)ON2

Technology Process of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-

There total 4 articles about 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- 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: 80.0%

: 1594-57-6,849833-58-5
pyridine-4-carboxamidoxime

: 6160-65-2
1,1'-Thiocarbonyldiimidazole

: 345631-77-8
3-pyridin-4-yl-4H-[1,2,4]oxadiazole-5-thione

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃;
DOI:10.1021/jm000350w

Reference yield:

: 75-15-0,12122-00-8
carbon disulfide

: 123865-77-0
C₈H₉N₃O₂

: 345631-77-8
3-pyridin-4-yl-4H-[1,2,4]oxadiazole-5-thione

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 1h;
DOI:10.1021/jm000350w

Reference yield:

: 100-48-1
pyridine-4-carbonitrile

: 345631-77-8
3-pyridin-4-yl-4H-[1,2,4]oxadiazole-5-thione

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / aq. NH₂OH*HCl; Na₂CO₃ / ethanol / 70 °C

2: Et₃N / CH₂Cl₂ / 4 h / 20 °C

3: NaH / dimethylformamide / 1 h / 0 °C

With hydroxylamine hydrochloride; sodium hydride; sodium carbonate; triethylamine; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm000350w