N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide

Base Information

• Chemical Name: N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide
• CAS No.: 82635-63-0
• Molecular Formula: C15H13ClN2OS
• Molecular Weight: 304.8
• DSSTox Substance ID: DTXSID20358237
• Wikidata: Q82138667
• Mol file: 82635-63-0.mol

Synonyms:N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide;82635-63-0;SCHEMBL11166422;DTXSID20358237;Benzamide, N-[[(5-chloro-2-methylphenyl)amino]thioxomethyl]-;STL481218;AKOS003445345;AB00107698-01

Chemical Property of N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 304.0437119
• Heavy Atom Count: 20
• Complexity: 358

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2

Technology Process of N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide

There total 1 articles about N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide 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:

benzoyl chloride (98-88-4) → 1-(5-Chloro-2-methylphenyl)-3-benzoyl-2-thiourea (82635-63-0)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone / 0.25 h / Heating

2: 93 percent / acetone / 0.5 h / Heating

In acetone;

DOI:10.1055/s-1988-27605

Reference yield: 93.0%

1-(5-Chloro-2-methylphenyl)-3-benzoyl-2-thiourea (82635-63-0) → 1-(5-Chloro-2-methylphenyl)-2-thiourea (72806-61-2)

Guidance literature:

With sodium hydroxide; at 80 - 87 ℃; for 0.133333h;

DOI:10.1055/s-1988-27605

Reference yield:

1-(5-Chloro-2-methylphenyl)-3-benzoyl-2-thiourea (82635-63-0) → 2-[3-(5-Chloro-2-methyl-phenyl)-2-methyl-isothioureidomethylene]-malonic acid diethyl ester (82635-94-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / 2,5 N NaOH / 0.5 h / 100 °C

2: 63 percent / methanol / Heating; 3 - 4 h

3: 65 percent / ethanol / 4 h / Heating

With sodium hydroxide; In methanol; ethanol;

upstream raw materials:

benzoyl chloride

Downstream raw materials:

1-(5-Chloro-2-methylphenyl)-2-thiourea

2-[3-(5-Chloro-2-methyl-phenyl)-2-methyl-isothioureidomethylene]-malonic acid diethyl ester