5,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole

Base Information

• Chemical Name: 5,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole
• CAS No.: 35190-53-5
• Molecular Formula: C₁₀H₁₂N₂S
• Molecular Weight: 192.285
• NSC Number: 163167
• DSSTox Substance ID: DTXSID30303879
• Wikidata: Q82049370
• Mol file: 35190-53-5.mol

Synonyms:35190-53-5;5,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole;5,6-dimethyl-2-methylsulfanyl-1H-benzimidazole;5,6-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole;5,6-dimethyl-2-(methylsulfanyl)-1H-1,3-benzodiazole;NSC163167;1H-Benzimidazole,5,6-dimethyl-2-(methylthio)-;SCHEMBL11821902;DTXSID30303879;AKOS004120603;NSC 163167;NSC-163167;5,6-dimethyl-2-methylmercaptobenzimidazole;5,6-dimethyl-2-methyl-mercaptobenzimidazole;5,6-Dimethyl-2-(methylsulfanyl)-1H-benzimidazole

Chemical Property of 5,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole

Chemical Property:

• Vapor Pressure: 6.07E-06mmHg at 25°C
• Refractive Index: 1.648
• Boiling Point: 378.9 °C at 760 mmHg
• PKA: 10.72±0.10(Predicted)
• Flash Point: 183 °C
• PSA: 53.98000
• Density: 1.2 g/cm³
• LogP: 2.90160
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.07211956
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

5,6-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N=C(N2)SC

Technology Process of 5,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole

There total 2 articles about 5,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole 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: 55.4%

5,6-dimethyl-2-mercaptobenzimidazole (3287-79-4) + methyl iodide (74-88-4) → 5,6-dimethyl-2-(methylthio)-1H-benzo[d]imidazole (35190-53-5)

Guidance literature:

With potassium carbonate; In acetone; for 24h;

DOI:10.1016/j.cbi.2021.109530

Reference yield:

4,5-dimethyl-1,2-phenylenediamine (3171-45-7) → 5,6-dimethyl-2-(methylthio)-1H-benzo[d]imidazole (35190-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / methanol / Reflux

2: potassium carbonate / acetone / 24 h

With potassium carbonate; potassium hydroxide; In methanol; acetone;

DOI:10.1016/j.cbi.2021.109530

Reference yield: 67.2%

5,6-dimethyl-2-(methylthio)-1H-benzo[d]imidazole (35190-53-5) → 2-hydrazinyl-5,6-dimethyl-1H-benzo[d]imidazole (60178-36-1)

Guidance literature:

With hydrazine hydrate; for 12h; Reflux;

DOI:10.1016/j.cbi.2021.109530

upstream raw materials:

5,6-dimethyl-2-mercaptobenzimidazole

methyl iodide

4,5-dimethyl-1,2-phenylenediamine

Downstream raw materials:

2-hydrazinyl-5,6-dimethyl-1H-benzo[d]imidazole

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