Ethanethioic acid, ((2,3-dimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester

Base Information

• Chemical Name: Ethanethioic acid, ((2,3-dimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester
• CAS No.: 83408-79-1
• Molecular Formula: C₁₇H₁₇N₃OS
• Molecular Weight: 311.407
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80232327
• Wikidata: Q83113351

Synonyms:83408-79-1;BRN 4534043;Ethanethioic acid, ((2,3-dimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester;((2,3-Dimethylphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester;S-1H-Benzo[d]imidazol-2-yl 2-((2,3-dimethylphenyl)amino)ethanethioate;DTXSID80232327;LS-65717

Chemical Property of Ethanethioic acid, ((2,3-dimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester

Chemical Property:

• Vapor Pressure: 6.81E-13mmHg at 25°C
• Boiling Point: 567.4°Cat760mmHg
• Flash Point: 297°C
• PSA: 83.08000
• Density: 1.29g/cm³
• LogP: 3.98350
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 311.10923335
• Heavy Atom Count: 22
• Complexity: 392

Purity/Quality:

((2,3-DIMETHYLPHENYL)AMINO)ETHANETHIOIC ACID S-1H-BENZIMIDAZOL-2-YL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)NCC(=O)SC2=NC3=CC=CC=C3N2)C

Technology Process of Ethanethioic acid, ((2,3-dimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester

There total 1 articles about Ethanethioic acid, ((2,3-dimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester 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:

2,3-Dimethylaniline (87-59-2) + 2-(Chloroacetylmercapto)benzimidazole (37061-45-3) → (2,3-Dimethyl-phenylamino)-thioacetic acid S-(1H-benzoimidazol-2-yl) ester (83408-79-1)

Guidance literature:

With triethylamine; In ethanol; for 2h; Heating;

upstream raw materials:

2,3-Dimethylaniline

2-(Chloroacetylmercapto)benzimidazole

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