1-Phenyl-3-(2-pyridyl)-2-thiourea

Base Information

• Chemical Name: 1-Phenyl-3-(2-pyridyl)-2-thiourea
• CAS No.: 886-60-2
• Molecular Formula: C12H11N3S
• Molecular Weight: 229.305
• Hs Code.: 2933399090
• European Community (EC) Number: 212-951-0
• NSC Number: 161945
• DSSTox Substance ID: DTXSID40237196
• Nikkaji Number: J48.965D
• ChEMBL ID: CHEMBL1971338
• Mol file: 886-60-2.mol

Synonyms:N-phenyl-N'-2-pyridylthiourea;P-2-PTU

Chemical Property of 1-Phenyl-3-(2-pyridyl)-2-thiourea

Chemical Property:

• Vapor Pressure: 1.06E-05mmHg at 25°C
• Melting Point: 173°C
• Refractive Index: 1.761
• Boiling Point: 371 °C at 760 mmHg
• Flash Point: 178.2 °C
• PSA: 69.04000
• Density: 1.341g/cm³
• LogP: 3.03650
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.06736854
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

1-Phenyl-3-(2-pyridyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2

Technology Process of 1-Phenyl-3-(2-pyridyl)-2-thiourea

There total 11 articles about 1-Phenyl-3-(2-pyridyl)-2-thiourea 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: 97.0%

2-aminopyridine (504-29-0) + phenyl isothiocyanate (103-72-0) → 1-(2'-pyridyl)-3-phenylthiourea (886-60-2)

Guidance literature:

In toluene; for 5h; Heating;

DOI:10.1007/s11172-007-0365-9

Reference yield: 91.0%

2-aminopyridine (504-29-0) + aniline (62-53-3) + 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide → 1-(2'-pyridyl)-3-phenylthiourea (886-60-2)

Guidance literature:

aniline; 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide; In ethanol; Heating;

2-aminopyridine; In ethanol; for 3.5h;

DOI:10.1016/S0040-4020(99)01026-1

Reference yield: 89.0%

2-aminopyridine (504-29-0) + 1H-imidazole-1-carbodithioic acid methyl ester (74734-11-5) + aniline (62-53-3) → 1-(2'-pyridyl)-3-phenylthiourea (886-60-2)

Guidance literature:

1H-imidazole-1-carbodithioic acid methyl ester; aniline; In ethanol; Heating;

2-aminopyridine; In ethanol; for 6h;

DOI:10.1016/S0040-4020(99)01026-1

upstream raw materials:

2-aminopyridine

phenyl isothiocyanate

2-pyridylisothiocyanate

benzylidene phenylamine

Downstream raw materials:

N-phenyl-N'-(pyrid-2-yl)urea

N-phenyl-N'-[2]pyridyl-guanidine

5-(3,4-dimethoxy-benzylidene)-3-phenyl-2-pyridin-2-ylimino-thiazolidin-4-one

5-(4-dimethylamino-benzylidene)-3-phenyl-2-pyridin-2-ylimino-thiazolidin-4-one