N-phenyl-2-pyridinecarbothioamide

Base Information

• Chemical Name: N-phenyl-2-pyridinecarbothioamide
• CAS No.: 13225-84-8
• Molecular Formula: C12H10 N2 S
• Molecular Weight: 214.291
• European Community (EC) Number: 651-700-3
• NSC Number: 45291
• DSSTox Substance ID: DTXSID70927598
• Nikkaji Number: J227.485J
• ChEMBL ID: CHEMBL114544
• Mol file: 13225-84-8.mol

Synonyms:n-phenylpyridine-2-carbothioamide;N-phenyl-2-pyridinecarbothioamide;N-phenylthiopicolinamide;NSC45291;13225-84-8;MLS000532669;MLS000736600;Pyridine-2-carbothioic acid phenylamide;SMR000137608;n-phenylpyridine-2-thioamide;Oprea1_066518;CHEMBL114544;cid_759327;SCHEMBL2744859;BDBM79975;DTXSID70927598;HMS2184O17;N-phenyl-pyridine-2-carbothioamide;NSC-45291;AKOS000361103;N-Phenylpyridine-2-carboximidothioic acid;MLS000736600-02;MLS000736600-03;SR-01000389065;SR-01000389065-1

Chemical Property of N-phenyl-2-pyridinecarbothioamide

Chemical Property:

• Vapor Pressure: 3.64E-05mmHg at 25°C
• Boiling Point: 353.2°Cat760mmHg
• Flash Point: 167.4°C
• Density: 1.265g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.05646950
• Heavy Atom Count: 15
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2

Technology Process of N-phenyl-2-pyridinecarbothioamide

There total 7 articles about N-phenyl-2-pyridinecarbothioamide 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: 88.0%

pyridine-2-carbaldehyde (1121-60-4) + aniline (62-53-3) → pyridine-2-carbothioic acid anilide (13225-84-8)

Guidance literature:

With sodium sulfide; sulfur; In N,N-dimethyl-formamide; at 115 ℃; for 12h;

DOI:10.1055/s-2007-991073

Reference yield: 85.0%

α-picoline (109-06-8) + nitrobenzene (98-95-3,26969-40-4) → pyridine-2-carbothioic acid anilide (13225-84-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; sulfur; at 120 ℃; for 16h; Reagent/catalyst; Temperature; Inert atmosphere;

DOI:10.1246/BCSJ.20200004

Reference yield: 80.0%

α-picoline (109-06-8) + aniline (62-53-3) → pyridine-2-carbothioic acid anilide (13225-84-8)

Guidance literature:

With sulfur; sodiumsulfide nonahydrate;

DOI:10.1002/chem.201501343

upstream raw materials:

α-picoline

nitrobenzene

aniline

pyridine-2-carbaldehyde

Downstream raw materials:

4,5-dihydro-2-(pyridin-2-yl)-1H-imidazole

2-(2'-Pyridyl)imidazo<4,5-c>pyridine

C₁₈H₁₃N₅

3-(p-dimethylamino)phenyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole