Benzyl N,N'-dibenzoylcarbamimidothioate

Base Information

• Chemical Name: Benzyl N,N'-dibenzoylcarbamimidothioate
• CAS No.: 142203-66-5
• Molecular Formula: C₂₂H₁₈N₂O₂S
• Molecular Weight: 374.463
• DSSTox Substance ID: DTXSID30569216
• Mol file: 142203-66-5.mol

Synonyms:142203-66-5;Benzyl N,N'-dibenzoylcarbamimidothioate;DTXSID30569216

Chemical Property of Benzyl N,N'-dibenzoylcarbamimidothioate

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 374.10889899
• Heavy Atom Count: 27
• Complexity: 516

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC(=NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Technology Process of Benzyl N,N'-dibenzoylcarbamimidothioate

There total 3 articles about Benzyl N,N'-dibenzoylcarbamimidothioate 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: 62.0%

2-(benzylthio)-4,5-diphenyl-1H-imidazole (50596-61-7) → N,N'-dibenzoyl-S-benzylisothiourea (142203-66-5)

Guidance literature:

With oxygen; methylene blue; In ethanol; for 7h; Irradiation;

Reference yield:

4,5-Diphenylimidazole-2-thione (2349-58-8) → N,N'-dibenzoyl-S-benzylisothiourea (142203-66-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) aq. NaOH / 1.) ethanol, heating, 2.) ethanol

2: 62 percent / O₂, methylene blue / ethanol / 7 h / Irradiation

With sodium hydroxide; oxygen; methylene blue; In ethanol;

Reference yield:

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → N,N'-dibenzoyl-S-benzylisothiourea (142203-66-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 3-methyl-butan-1-ol / Heating

2: 1.) aq. NaOH / 1.) ethanol, heating, 2.) ethanol

3: 62 percent / O₂, methylene blue / ethanol / 7 h / Irradiation

With sodium hydroxide; oxygen; methylene blue; In ethanol; i-Amyl alcohol;

upstream raw materials:

2-(benzylthio)-4,5-diphenyl-1H-imidazole

4,5-Diphenylimidazole-2-thione

2-hydroxy-2-phenylacetophenone