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

Base Information

• Chemical Name: 5-(2-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 19982-38-8
• Molecular Formula: C10H10 N2 O2 S
• Molecular Weight: 222.268
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30367133
• Wikidata: Q27202408
• Pharos Ligand ID: CX84FBUY3TPA
• ChEMBL ID: CHEMBL1605444
• Mol file: 19982-38-8.mol

Synonyms:5-(2-ethoxyphenyl)-1,3,4-oxadiazole-2-thiol;19982-38-8;5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione;SMR000144651;MLS000538614;CHEMBL1605444;BDBM43603;cid_2235547;DTXSID30367133;CHEBI:116745;HMS2452G06;STL296140;TOD100100;AKOS000406355;5-o-phenetyl-3H-1,3,4-oxadiazole-2-thione;EN300-12287;SR-01000298455;SR-01000298455-1;Q27202408;Z57834194;5-(2-ethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

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

Chemical Property:

• Vapor Pressure: 0.000467mmHg at 25°C
• Boiling Point: 314.4°Cat760mmHg
• Flash Point: 143.9°C
• PSA: 86.95000
• Density: 1.33g/cm³
• LogP: 2.42400
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.04629874
• Heavy Atom Count: 15
• Complexity: 281

Purity/Quality:

98%Min ^*data from raw suppliers

5-(2-ethoxyphenyl)-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: CCOC1=CC=CC=C1C2=NNC(=S)O2

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

There total 8 articles about 5-(2-Ethoxyphenyl)-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: 60.0%

carbon disulfide (75-15-0,12122-00-8) + 2-ethoxybenzoic acid hydrazide (21018-13-3) → 5-(2-ethoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione (19982-38-8)

Guidance literature:

carbon disulfide; 2-ethoxybenzoic acid hydrazide; With potassium hydroxide; In ethanol; at 20 ℃; for 4 - 8h; Heating / reflux;

With hydrogenchloride; In ethanol; water;

In water;

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 2-ethoxybenzoic acid hydrazide (21018-13-3) → 2-(o.etossifenil)-5-mercapto-1,3,4-oxadiazolo (19982-38-8)

Guidance literature:

carbon disulfide; 2-ethoxybenzoic acid hydrazide; With potassium hydroxide; In ethanol; for 24h; Reflux;

With hydrogenchloride; pH=5 - 6;

DOI:10.1016/j.bmc.2010.09.051

Reference yield:

2-ethoxybenzoic acid (134-11-2) → 2-(o.etossifenil)-5-mercapto-1,3,4-oxadiazolo (19982-38-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid / Reflux

2.1: hydrazine hydrate / ethanol / Reflux

3.1: potassium hydroxide / ethanol / 24 h / Reflux

3.2: pH 5 - 6

With sulfuric acid; hydrazine hydrate; potassium hydroxide; In ethanol;

DOI:10.1016/j.bmc.2012.03.061

upstream raw materials:

thiophosgene

2-ethoxybenzoic acid hydrazide

N'-(2-ethoxy-benzoyl)-hydrazinecarbodithioic acid; potassium salt

carbon disulfide

Downstream raw materials:

2-chloro-5-[[(5-(o-ethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio]methyl]pyridine

2-(5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-ylthio)-1-phenylethanone

2-(2-Ethoxyphenyl)-5-((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)thio)-1,3,4-oxadiazole

2-(benzylthio)-5-(2-ethoxyphenyl)-1,3,4-oxadiazole