2-Pyridyl thiocyanate

Base Information

• Chemical Name: 2-Pyridyl thiocyanate
• CAS No.: 2637-35-6
• Molecular Formula: C6H4 N2 S
• Molecular Weight: 136.177
• DSSTox Substance ID: DTXSID40180971
• Nikkaji Number: J48.855K
• Wikidata: Q83051587
• Mol file: 2637-35-6.mol

Synonyms:2-Pyridyl thiocyanate;Thiocyanic acid, 2-pyridyl ester;2637-35-6;BRN 1423383;5-21-02-00041 (Beilstein Handbook Reference);pyridine thiocyanate;cyanomercaptopyridine;SCHEMBL4070135;DTXSID40180971;LS-152730

Chemical Property of 2-Pyridyl thiocyanate

Chemical Property:

• Vapor Pressure: 0.00843mmHg at 25°C
• Boiling Point: 266.9°Cat760mmHg
• Flash Point: 115.2°C
• PSA: 61.98000
• Density: 1.27g/cm³
• LogP: 1.65478
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.00951931
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)SC#N

Technology Process of 2-Pyridyl thiocyanate

There total 4 articles about 2-Pyridyl thiocyanate 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: 98.0%

S-(pyridin-2-yl) 4-methylbenzenesulfonothioate (127878-51-7) + potassium cyanide (151-50-8) → 2-thiocyanatopyridine (2637-35-6) + potassium 4-methylbenzenesulfinate (19294-29-2)

Guidance literature:

at 40 ℃; for 7h;

DOI:10.1080/00397919908085956

Reference yield: 44.0%

2-methylsulfanyl-pyridine (18438-38-5,79639-75-1) + trimethylsilyl cyanide (7677-24-9) → 2-thiocyanatopyridine (2637-35-6) + N-methyl 2-methylthiopyridium (45661-51-6) + 2,2'-dipyridyldisulphide (2127-03-9)

Guidance literature:

With Selectfluor; In acetonitrile; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.joc.9b00965

Reference yield: 37.0%

2-Sulfanylpyridine (2637-34-5,73018-10-7) → 2-thiocyanatopyridine (2637-35-6) + 2,2'-dipyridyldisulphide (2127-03-9)

Guidance literature:

With P-toluenesulfonyl cyanide; sodium hydride; In tetrahydrofuran; Ambient temperature;

DOI:10.3987/COM-97-7740

upstream raw materials:

2-Sulfanylpyridine

bromocyane

S-(pyridin-2-yl) 4-methylbenzenesulfonothioate

potassium cyanide

Downstream raw materials:

2-phenylsulfanylpyridine

2-((difluoro(phenylsulfonyl)methyl)thio)pyridine

2-(benzylthio)pyridine

Refernces

• 1、 Fujiki, Kiyoko,Yoshida, Eiji. "A new preparative method of thiocanates by the solid state thiosulfonate/cyanide reaction". . p. 3289 - 3294. Retrieved 2007/10/03.