1-Benzyl-3-phenylthiourea

Base Information

• Chemical Name: 1-Benzyl-3-phenylthiourea
• CAS No.: 726-25-0
• Molecular Formula: C14H14N2S
• Molecular Weight: 242.345
• Hs Code.: 2930909090
• European Community (EC) Number: 666-418-6
• NSC Number: 25017
• DSSTox Substance ID: DTXSID70349913
• Nikkaji Number: J142.117D
• ChEMBL ID: CHEMBL1910060
• Mol file: 726-25-0.mol

Synonyms:1-Benzyl-3-phenylthiourea;726-25-0;1-Benzyl-3-phenyl-2-thiourea;N-Benzyl-N'-phenylthiourea;Thiourea, N-phenyl-N'-(phenylmethyl)-;3-benzyl-1-phenylthiourea;N-Phenyl-N'-benzylthiourea;Urea, 1-benzyl-3-phenyl-2-thio-;CHEMBL1910060;Thiourea,N-phenyl-N'-(phenylmethyl)-;NSC25017;(E)-N-benzyl-N'-phenylcarbamimidothioic acid;Probes1_000002;Probes2_000403;N'-benzyl-N-phenylthiourea;N-benzyl-N'-phenyl thiourea;CBDivE_009624;N-Benzyl-N'-phenylthiourea #;SCHEMBL1520659;DTXSID70349913;1-phenyl-3-(phenylmethyl)thiourea;BDBM50356180;MFCD00022120;NSC-25017;STK030886;AKOS000430965;AKOS003241050;AKOS024574400;BS-4521;N-benzyl-N'-phenylcarbamimidothioic acid;B4997;CS-0182193;FT-0632879;T71271;EN300-7269426;A837581;AE-848/33212059;Z45794554;F0081-0280

Chemical Property of 1-Benzyl-3-phenylthiourea

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 6.61E-06mmHg at 25°C
• Melting Point: 156-158 °C
• Refractive Index: 1.683
• Boiling Point: 377.7 °C at 760 mmHg
• PKA: 12.68±0.70(Predicted)
• Flash Point: 182.2 °C
• PSA: 56.15000
• Density: 1.212 g/cm³
• LogP: 3.63710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 242.08776963
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-3-phenylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Benzyl-3-phenylthiourea

There total 33 articles about 1-Benzyl-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: 100.0%

phenyl isothiocyanate (103-72-0) + benzylamine (100-46-9) → 1-benzyl-3-phenylthiourea (726-25-0)

Guidance literature:

In acetonitrile; at 20 ℃; for 3h;

DOI:10.1002/chem.201102097

Reference yield: 100.0%

Benzyl isothiocyanate (622-78-6) + aniline (62-53-3) → 1-benzyl-3-phenylthiourea (726-25-0)

Guidance literature:

In hexane; for 14h; Reflux;

DOI:10.2174/157017811797249281

Reference yield: 97.0%

carbon disulfide (75-15-0,12122-00-8) + aniline (62-53-3) + benzylamine (100-46-9) → 1-benzyl-3-phenylthiourea (726-25-0)

Guidance literature:

In dimethyl sulfoxide; at 70 ℃; for 4h;

DOI:10.1039/c9ra04540f

upstream raw materials:

N-(phenylcarbamothioyl)benzenecarboximidamide

phenyl isothiocyanate

benzylamine

triphenylphosphine

Downstream raw materials:

N-benzyl-S-methyl-N'-phenyl-isothiourea

N-benzyl-N′-phenylcarbodiimide

(3-benzyl-4-oxo-2-phenylimino-thiazolidin-5-yl)-acetic acid

3-benzyl-2-(phenylimino)-1,3-thiazolidin-4-one

Refernces

• 1、 Krishnappagowda, Lokanath Neratur,Kumar, Vasantha,Pai, Vinitha R.,Poojary, Boja,Rai, Vaishali M.,Shivalingegowda, Naveen,Udupi, Vishwanatha. "Synthesis, crystal structure, anticancer and molecular docking studies of quinolinone-thiazolidinone hybrid molecules". . . Retrieved 2021/08/12.
• 2、 Bano, Kulsum,Anga, Srinivas,Jain, Archana,Nayek, Hari Pada,Panda, Tarun K.. "Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand". supporting information. p. 9419 - 9428. Retrieved 2020/06/17.