2-Acetylpyridine thiosemicarbazone

Base Information

• Chemical Name: 2-Acetylpyridine thiosemicarbazone
• CAS No.: 142564-62-3
• Molecular Formula: C₈H₁₀N₄S
• Molecular Weight: 194.26
• DSSTox Substance ID: DTXSID101197659
• ChEMBL ID: CHEMBL416771
• Mol file: 142564-62-3.mol

Synonyms:2-acetylpyridine thiosemicarbazone;2-acetylpyridine thiosemicarbazone monohydrochloride

Chemical Property of 2-Acetylpyridine thiosemicarbazone

Chemical Property:

• Vapor Pressure: 4.86E-05mmHg at 25°C
• Boiling Point: 349°Cat760mmHg
• Flash Point: 164.8°C
• PSA: 102.43000
• Density: 1.28g/cm³
• LogP: 1.75040
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.06261751
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=NNC(=S)N)C1=CC=CC=N1
• Isomeric SMILES: C/C(=N\NC(=S)N)/C1=CC=CC=N1

Technology Process of 2-Acetylpyridine thiosemicarbazone

There total 3 articles about 2-Acetylpyridine thiosemicarbazone 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: 86.0%

2-acetylpyridine (1122-62-9) + thiosemicarbazide (79-19-6) → 2-acetylpyridine thiosemicarbazone (6839-90-3,142564-62-3)

Guidance literature:

With acetic acid; In isopropyl alcohol; at 20 ℃; for 2h; Irradiation; Sonication;

DOI:10.1016/j.ejmech.2014.08.012

Reference yield: 75.0%

pyridine-2-carbaldehyde (1121-60-4) + methanol (67-56-1) + thiosemicarbazide (79-19-6) → 2-acetylpyridine thiosemicarbazone (6839-90-3,142564-62-3)

Guidance literature:

for 5h; Heating;

DOI:10.1039/b210540n

Reference yield:

→ 2-acetylpyridine thiosemicarbazone (6839-90-3,142564-62-3)

Guidance literature:

DOI:10.1021/jm00193a020

upstream raw materials:

2-acetylpyridine

thiosemicarbazide

pyridine-2-carbaldehyde

methanol

Downstream raw materials:

C₁₇H₁₃N₅S