5-(4-Chlorobenzyl)-1,3,4-oxadiazole-2-thiol

Base Information

Chemical Name:5-(4-Chlorobenzyl)-1,3,4-oxadiazole-2-thiol
CAS No.:93073-38-2
Molecular Formula:C9H7ClN2OS
Molecular Weight:226.686
Hs Code.:
DSSTox Substance ID:DTXSID801202162
ChEMBL ID:CHEMBL1523784

Synonyms:5-(4-chlorobenzyl)-1,3,4-oxadiazole-2-thiol;MLS000684139;CHEMBL1523784;SCHEMBL10364620;DTXSID801202162;HMS2762J23;STK279066;TOD100580;AKOS000295979;93073-38-2;SMR000295807;2-(4-chlorophenylmethyl)-5-mercapto-1,3,4-oxadiazole;5-[(4-Chlorophenyl)methyl]-1,3,4-oxadiazole-2(3H)-thione;5-[(4-chlorophenyl)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione

Suppliers and Price of 5-(4-Chlorobenzyl)-1,3,4-oxadiazole-2-thiol

Supply Marketing:

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

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Chemical Property of 5-(4-Chlorobenzyl)-1,3,4-oxadiazole-2-thiol

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:225.9967617
Heavy Atom Count:14
Complexity:262

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CC2=NNC(=S)O2)Cl

Technology Process of 5-(4-Chlorobenzyl)-1,3,4-oxadiazole-2-thiol

There total 7 articles about 5-(4-Chlorobenzyl)-1,3,4-oxadiazole-2-thiol 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: 81.8%

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

: 57676-51-4
2-(4-chlorophenyl)acetic hydrazide

: 93073-38-2
2-mercapto-5-(4-chlorobenzyl)-1,3,4-oxadiazole

Guidance literature:: carbon disulfide; 2-(4-chlorophenyl)acetic hydrazide; With potassium hydroxide; In ethanol; water; for 6h; Reflux;

With hydrogenchloride; In ethanol; water; pH=1- 2;
DOI:10.1016/j.bmcl.2014.12.038

Reference yield:

: C₉H₆ClN₂OS^(1-)*K⁽¹⁺⁾

: 93073-38-2
2-mercapto-5-(4-chlorobenzyl)-1,3,4-oxadiazole

Guidance literature:: With hydrogenchloride; In water;
DOI:10.1016/j.bmc.2021.116330

Reference yield:

: 1878-66-6
4-chlorophenylacetic Acid

: 93073-38-2
2-mercapto-5-(4-chlorobenzyl)-1,3,4-oxadiazole

Guidance literature:: Multi-step reaction with 3 steps

1: sulfuric acid

2: hydrazine hydrate / methanol

3: potassium hydroxide / ethanol

With sulfuric acid; hydrazine hydrate; potassium hydroxide; In methanol; ethanol;
DOI:10.1021/jf203772d