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

Base Information

• Chemical Name: 5-(2-Phenylethyl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 93073-40-6
• Molecular Formula: C10H10N2OS
• Molecular Weight: 206.26400
• European Community (EC) Number: 829-232-8
• DSSTox Substance ID: DTXSID20541263
• Wikidata: Q82417577

Synonyms:5-(2-phenylethyl)-1,3,4-oxadiazole-2-thiol;93073-40-6;5-(2-phenylethyl)-3H-1,3,4-oxadiazole-2-thione;1,3,4-Oxadiazole-2(3H)-thione, 5-(2-phenylethyl)-;SCHEMBL13401037;DTXSID20541263;AKOS005186909;AKOS008119633;CS-0264951;EN300-95500;5-(2-Phenylethyl)-1,3,4-oxadiazole-2(3H)-thione;Z367653882

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

Chemical Property:

• PSA: 77.72000
• LogP: 2.14350
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.05138412
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

5-(2-phenylethyl)-1,3,4-oxadiazole-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC2=NNC(=S)O2

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

There total 3 articles about 5-(2-Phenylethyl)-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: 82.0%

carbon disulfide (75-15-0,12122-00-8) + 3-phenylpropanehydrazide (3538-68-9) → 5-(2-phenylethyl)-1,3,4-oxadiazole-2-thiol (93073-40-6)

Guidance literature:

carbon disulfide; 3-phenylpropanehydrazide; With potassium hydroxide; In ethanol; water; Reflux;

With hydrogenchloride; In water; pH=2 - 3;

Reference yield:

3-Phenylpropionic acid (501-52-0) → 5-(2-phenylethyl)-1,3,4-oxadiazole-2-thiol (93073-40-6)

Guidance literature:

Multi-step reaction with 3 steps

1: Acidic conditions

2: hydrazine hydrate

3: potassium hydroxide

With hydrazine hydrate; potassium hydroxide;

DOI:10.3390/molecules16021297

Reference yield:

3-phenylpropanoic acid methyl ester (103-25-3) → 5-(2-phenylethyl)-1,3,4-oxadiazole-2-thiol (93073-40-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrazine hydrate / ethanol / 8 h / Reflux

2.1: potassium hydroxide / ethanol; water / Reflux

2.2: pH 2 - 3

With hydrazine hydrate; potassium hydroxide; In ethanol; water;

upstream raw materials:

carbon disulfide

3-phenylpropanehydrazide

3-Phenylpropionic acid

3-phenylpropanoic acid methyl ester

Downstream raw materials:

5-(2-phenethyl)-4-amino-1,2,4-triazole-3-thiol

3-Phenethyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-Benzyl-3-phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(4-Chloro-phenyl)-3-phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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