1-(4-Fluorophenyl)-3-phenylthiourea

Base Information

• Chemical Name: 1-(4-Fluorophenyl)-3-phenylthiourea
• CAS No.: 370-16-1
• Molecular Formula: C13H11FN2S
• Molecular Weight: 246.308
• NSC Number: 191412
• DSSTox Substance ID: DTXSID20351248
• Nikkaji Number: J2.698.421A
• Mol file: 370-16-1.mol

Synonyms:1-(4-fluorophenyl)-3-phenylthiourea;370-16-1;NSC 191412;NSC191412;N-(4-fluorophenyl)-N'-phenylthiourea;TimTec1_001536;[(4-fluorophenyl)amino](phenylamino)methane-1-thione;SCHEMBL10710275;DTXSID20351248;HMS1538F18;AKOS000567140;CCG-234427;NSC-191412;NCGC00174326-01;N16900;AF-753/00293061

Chemical Property of 1-(4-Fluorophenyl)-3-phenylthiourea

Chemical Property:

• Vapor Pressure: 5.47E-05mmHg at 25°C
• Boiling Point: 347.2°Cat760mmHg
• Flash Point: 163.8°C
• Density: 1.353g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.06269769
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99%+, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F

Technology Process of 1-(4-Fluorophenyl)-3-phenylthiourea

There total 9 articles about 1-(4-Fluorophenyl)-3-phenylthiourea 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: 99.0%

aniline (62-53-3) + 4-fluorophenyl isothiocyanate (1544-68-9) → N-(4-fluorophenyl)-N’-phenylthiourea (370-16-1)

Guidance literature:

In acetonitrile; at 25 ℃; for 0.166667h; Milling;

DOI:10.1039/c2gc35799b

Reference yield: 94.0%

→ N-(4-fluorophenyl)-N’-phenylthiourea (370-16-1)

Guidance literature:

at 25 ℃; for 0.333333h;

Reference yield: 86.0%

aniline (62-53-3) + o-phenyl (4-fluorophenyl)carbamothioate → N-(4-fluorophenyl)-N’-phenylthiourea (370-16-1)

Guidance literature:

In water; at 100 ℃; for 1h; Green chemistry;

DOI:10.3184/174751916X14760947474916

upstream raw materials:

aniline

4-fluorophenyl isothiocyanate

N,N’-di-(4-fluorophenyl)thiourea

4-fluoroaniline

Downstream raw materials:

N-(4-fluorophenyl)benzo[d]thiazol-2-amine

Refernces

• 1、 -. "Catalyst-free solventless synthesis of polysubstituted urea Method for preparing thioureas and chiral ureas and thiourea compounds". Paragraph 0105-0118. . Retrieved 2021/09/29.
• 2、 Singh, Karandeep,Sharma, Siddharth. "An isocyanide based multi-component reaction under catalyst- and solvent-free conditions for the synthesis of unsymmetrical thioureas". . p. 197 - 201. Retrieved 2016/12/28.