2-Chloropyridine-3-carbothioamide

Base Information

• Chemical Name: 2-Chloropyridine-3-carbothioamide
• CAS No.: 1240596-59-1
• Molecular Formula: C₆H₅ClN₂S
• Molecular Weight: 172.638
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID90576027
• Wikidata: Q82465537
• Mol file: 1240596-59-1.mol

Synonyms:1240596-59-1;2-Chlorothionicotinamide;2-CHLORO-THIONICOTINAMIDE;2-chloropyridine-3-carbothioamide;2-Chloropyridine-3-thiocarboxamide;DTXSID90576027;AKOS022984849;SB52407;AS-31852;CS-0199982;EN300-1599578;A907026

Chemical Property of 2-Chloropyridine-3-carbothioamide

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 171.9861970
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

2-Chloropyridine-3-thiocarboxamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)Cl)C(=S)N

Technology Process of 2-Chloropyridine-3-carbothioamide

There total 4 articles about 2-Chloropyridine-3-carbothioamide 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: 78.0%

2-chloro-3-pyridinecarbonitrile (6602-54-6) → C6H5ClN2S (1240596-59-1)

Guidance literature:

With tetraphosphorus decasulfide; ammonia; In methanol; at 20 ℃; for 12h;

DOI:10.1134/S1070363215100138

Reference yield:

2-chloronicotinamide (10366-35-5) → C6H5ClN2S (1240596-59-1)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; Reflux;

DOI:10.1016/j.bmcl.2012.12.065

Reference yield:

2-chloronicotinic acid (2942-59-8) → C6H5ClN2S (1240596-59-1)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / chloroform / 8 h / Reflux

2: ammonium hydroxide / tetrahydrofuran / 2 h / 20 °C

3: Lawessons reagent / tetrahydrofuran / Reflux

With Lawessons reagent; ammonium hydroxide; thionyl chloride; In tetrahydrofuran; chloroform;

DOI:10.1016/j.bmcl.2012.12.065

upstream raw materials:

2-chloronicotinamide

2-chloronicotinic acid

2-Chloronicotinoyl chloride

2-chloro-3-pyridinecarbonitrile