2-(Methylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Base Information

Chemical Name:2-(Methylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CAS No.:2951-22-6
Molecular Formula:C₉H₇N₃O₃S
Molecular Weight:237.239
Hs Code.:
European Community (EC) Number:663-159-0
DSSTox Substance ID:DTXSID901326563
ChEMBL ID:CHEMBL1460833

Synonyms:2-(methylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole;2951-22-6;MLS000855890;2-methylsulfanyl-5-(4-nitrophenyl)-1,3,4-oxadiazole;CHEMBL1460833;DTXSID901326563;HMS2638P05;HMS3362M16;CCG-1079;AKOS000667503;SMR000286335;VU0296298-1

Suppliers and Price of 2-(Methylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 2-(Methylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:237.02081227
Heavy Atom Count:16
Complexity:253

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-(Methylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole

There total 5 articles about 2-(Methylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole 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: 83.0%

: potassium salt of p-nitrophenyl-Δ²-1,3,4-oxadiazoline-5-thione

: 74-88-4
methyl iodide

: 2951-22-6
2-(p-nitrophenyl)-5-(methylthio)-1,3,4-oxadiazole

Guidance literature:: In ethanol; at 25 ℃; for 0.0833333h;
DOI:10.1021/ja00342a044

Reference yield:

: 636-97-5
N-amino-(4-nitrophenyl)carboxamide

: 2951-22-6
2-(p-nitrophenyl)-5-(methylthio)-1,3,4-oxadiazole

Guidance literature:: Multi-step reaction with 3 steps

1: KOH / aq. ethanol

2: aq. ethanol / 20 h / Heating

3: 83 percent / aq. ethanol / 0.08 h / 25 °C

With potassium hydroxide; In ethanol;
DOI:10.1021/ja00342a044

Reference yield:

: 84459-83-6
potassium 2-(4-nitrobenzoyl)hydrazinecarbodithioate

: 2951-22-6
2-(p-nitrophenyl)-5-(methylthio)-1,3,4-oxadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: aq. ethanol / 20 h / Heating

2: 83 percent / aq. ethanol / 0.08 h / 25 °C

In ethanol;
DOI:10.1021/ja00342a044