2-Mercaptopyrazine

Base Information

• Chemical Name: 2-Mercaptopyrazine
• CAS No.: 38521-06-1
• Molecular Formula: C4H4 N2 S
• Molecular Weight: 112.155
• Hs Code.: 2933990090
• European Community (EC) Number: 809-117-9
• DSSTox Substance ID: DTXSID20395425
• Nikkaji Number: J515.031K
• Wikidata: Q72488657
• Mol file: 38521-06-1.mol

Synonyms:2-mercaptopyrazine

Chemical Property of 2-Mercaptopyrazine

Chemical Property:

• Vapor Pressure: 0.519mmHg at 25°C
• Melting Point: 207-213°C
• Boiling Point: 191.3oC at 760 mmHg
• PKA: 8.44±0.20(Predicted)
• Flash Point: 69.5oC
• PSA: 64.58000
• Density: 1.3g/cm3
• LogP: 0.76530
• Storage Temp.: 2-8°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.00951931
• Heavy Atom Count: 7
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

2-Mercaptopyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=S)N1

Technology Process of 2-Mercaptopyrazine

There total 5 articles about 2-Mercaptopyrazine 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: 100.0%

2-chloropyrazin (14508-49-7) → 2-mercaptopyrazine (38521-06-1)

Guidance literature:

With thiourea; In ethanol; for 16h; Reflux;

Reference yield:

2-chloropyrazin (14508-49-7) → diethyl ether (60-29-7,927820-24-4) + 2-mercaptopyrazine (38521-06-1)

Guidance literature:

In N-methyl-acetamide;

Reference yield:

2-chloropyrazin (14508-49-7) → 2(1H)-pyrazinethione (38521-06-1) + bis(pyrazin-2-yl)sulfane (38521-09-4)

Guidance literature:

With ethanol; potassium hydrosulfide; at 110 ℃;

DOI:10.1021/ja01167a011

upstream raw materials:

2-chloropyrazin

2-(4-Methoxybenzylthio)pyrazine

Downstream raw materials:

2-(2-phenylethynyl)pyrazine

2-(methylthio)pyrazine

2-(allylthio)pyrazine