5-(Pyrazin-2-yl)-1,3,4-oxadiazole-2-thiol

Base Information

• Chemical Name: 5-(Pyrazin-2-yl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 37545-39-4
• Molecular Formula: C6H4 N4 O S
• Molecular Weight: 180.19
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70190982
• Wikidata: Q83063454
• Mol file: 37545-39-4.mol

Synonyms:5-PODT;5-pyrazinyl-1,3,4-oxadiazole-2-thione

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

Chemical Property:

• Vapor Pressure: 0.00284mmHg at 25°C
• Boiling Point: 285.2°Cat760mmHg
• Flash Point: 126.3°C
• PSA: 103.50000
• Density: 1.69g/cm³
• LogP: 0.81530
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 180.01058194
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

98%Min ^*data from raw suppliers

5-(pyrazin-2-yl)-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=CN=C(C=N1)C2=NNC(=S)O2

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

There total 12 articles about 5-(Pyrazin-2-yl)-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: 87.0%

carbon disulfide (75-15-0,12122-00-8) + pyrazine-2-carbohydrazide (768-05-8) → 5-(pyrazin-2-yl)-1,3,4-oxadiazole-2-thiol (37545-39-4)

Guidance literature:

With potassium hydroxide; In ethanol; for 12h; Reflux;

DOI:10.1016/j.bmcl.2019.126846

Reference yield: 80.4%

→ 5-(pyrazin-2-yl)-1,3,4-oxadiazole-2-thiol (37545-39-4)

Guidance literature:

With potassium hydroxide; In ethanol; at 80 ℃; for 3h; Cooling with ice;

Reference yield: 75.0%

carbon disulfide (75-15-0,12122-00-8) + pyrazine-2-carbohydrazide (768-05-8) → 5-(pyrazin-2-yl)-1,3,4-oxadiazole-2(3H)-thione (37545-39-4)

Guidance literature:

With potassium hydroxide; In ethanol; Reflux;

DOI:10.1007/s00044-016-1514-1

upstream raw materials:

pyrazine-2-carbohydrazide

thiophosgene

carbon disulfide

2-pyrazylcarboxylic acid

Downstream raw materials:

5-(pyrazin-2-yl)-1,3,4-oxadiazole-2(3H)-one

2-(5-(2-fluorobenzylthio)-1,3,4-oxadiazol-2-yl)pyrazine

2-(5-(2-chlorobenzylthio)-1,3,4-oxadiazol-2-yl)pyrazine

C₁₃H₉BrN₄OS

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