n-[(2,6-Dimethylphenyl)carbamothioyl]benzamide

Base Information

• Chemical Name: n-[(2,6-Dimethylphenyl)carbamothioyl]benzamide
• CAS No.: 25343-24-2
• Molecular Formula: C16H16 N2 O S
• Molecular Weight: 284.382
• NSC Number: 328015
• DSSTox Substance ID: DTXSID80358137
• Mol file: 25343-24-2.mol

Synonyms:n-[(2,6-dimethylphenyl)carbamothioyl]benzamide;25343-24-2;N-((2,6-dimethylphenyl)carbamothioyl)benzamide;NSC328015;CBMicro_041102;SCHEMBL11258013;DTXSID80358137;BQODTXRRZVSKDI-UHFFFAOYSA-N;AKOS003486122;NSC-328015;1-(2,6-dimethylphenyl)-3-benzoylthiourea;BIM-0041228.P001;N-benzoyl-N'-(2,6-dimethylphenyl)thiourea

Chemical Property of n-[(2,6-Dimethylphenyl)carbamothioyl]benzamide

Chemical Property:

• Density: 1.23g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 284.09833431
• Heavy Atom Count: 20
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of n-[(2,6-Dimethylphenyl)carbamothioyl]benzamide

There total 10 articles about n-[(2,6-Dimethylphenyl)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: 95.0%

ammonium thiocyanate (1147550-11-5) + benzoyl chloride (98-88-4) + 2,6-dimethylaniline (87-62-7) → N-((2,6-dimethylphenyl)carbamothioyl)benzamide (25343-24-2)

Guidance literature:

ammonium thiocyanate; benzoyl chloride; In acetone; for 0.333333h; Reflux;

2,6-dimethylaniline; In acetone; for 0.5h; Reflux;

Reference yield: 95.0%

ammonium thiocyanate + benzoyl chloride (98-88-4) + 2,6-dimethylaniline (87-62-7) → N-((2,6-dimethylphenyl)carbamothioyl)benzamide (25343-24-2)

Guidance literature:

ammonium thiocyanate; benzoyl chloride; In acetone; for 0.333333h; Reflux;

2,6-dimethylaniline; In acetone; for 0.5h; Reflux;

DOI:10.1021/ml400486k

Reference yield:

Benzoyl isothiocyanate (532-55-8) + 2,6-dimethylaniline (87-62-7) → N-((2,6-dimethylphenyl)carbamothioyl)benzamide (25343-24-2)

Guidance literature:

In water; 1,2-dichloro-ethane; for 1h; Heating;

upstream raw materials:

2-((2,6-dimethylphenyl)amino)acetonitrile

potassium thioacyanate

benzoyl chloride

Benzoyl isothiocyanate

Downstream raw materials:

1-(2,6-dimethylphenyl)thiourea

2-[(2,6-dimethylphenyl)amino]-1,3-thiazole-4-carboxylic acid

ethyl 2-[(2,6-dimethylphenyl)amino]-1,3-thiazole-4-carboxylate

C₉H₁₄N₄