1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide

Base Information

Chemical Name:1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide
CAS No.:49739-37-9
Molecular Formula:C9H8N2O2S
Molecular Weight:208.241
Hs Code.:
DSSTox Substance ID:DTXSID60416007
Nikkaji Number:J492.071F
Wikidata:Q82225119
ChEMBL ID:CHEMBL110638

Synonyms:CHEMBL110638;1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide;DTXSID60416007;49739-37-9;3-Methyl-4-phenylthio-1,2,5-oxadiazole 5-oxide;4-methyl-2-oxido-3-phenylsulfanyl-[1,2,5]oxadiazol-2-ium;InChI=1/C9H8N2O2S/c1-7-9(11(12)13-10-7)14-8-5-3-2-4-6-8/h2-6H,1H

Suppliers and Price of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide

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 3 raw suppliers

Chemical Property of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:208.03064868
Heavy Atom Count:14
Complexity:188

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NO[N+](=C1SC2=CC=CC=C2)[O-]

Technology Process of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide

There total 7 articles about 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide 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: 85.0%

: 108-98-5
thiophenol

: 65514-04-7
3-chloro-4-methylfuroxan

: 49739-37-9
4-methyl-3-phenylthiofuroxan

Guidance literature:: With sodium hydroxide; In water; acetone; at 24 ℃; for 0.5h;

Reference yield: 40.0%

: 142764-04-3
N-Hydroxy-2-[(E)-hydroxyimino]-thiopropionimidic acid phenyl ester

: 49739-37-9
4-methyl-3-phenylthiofuroxan

: 49739-36-8
3-methyl-4-(phenylthio)furoxan

Guidance literature:: With dinitrogen tetraoxide; In diethyl ether; at 0 - 20 ℃; for 17h;
DOI:10.1021/jm00095a028

Reference yield:

: 108-98-5
thiophenol

: 49739-37-9
4-methyl-3-phenylthiofuroxan

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / triethylamine / diethyl ether / 1 h / Ambient temperature

2: 31 percent / N₂O₄ / diethyl ether / 17 h / 0 - 20 °C

With dinitrogen tetraoxide; triethylamine; In diethyl ether;
DOI:10.1021/jm00095a028