1-methyl-5-phenyl-1H-imidazole-2-thiol

Base Information

• Chemical Name: 1-methyl-5-phenyl-1H-imidazole-2-thiol
• CAS No.: 25433-13-0
• Molecular Formula: C10H10 N2 S
• Molecular Weight: 190.26
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90352020
• Nikkaji Number: J3.266.948D
• Wikidata: Q82128937
• Mol file: 25433-13-0.mol

Synonyms:phenyl methimazole;phenylmethimazole

Chemical Property of 1-methyl-5-phenyl-1H-imidazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.000968mmHg at 25°C
• Boiling Point: 302.8°Cat760mmHg
• Flash Point: 136.9°C
• PSA: 56.62000
• Density: 1.26g/cm³
• LogP: 2.37580
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.05646950
• Heavy Atom Count: 13
• Complexity: 241

Purity/Quality:

98%Min ^*data from raw suppliers

1-methyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CNC1=S)C2=CC=CC=C2

Technology Process of 1-methyl-5-phenyl-1H-imidazole-2-thiol

There total 2 articles about 1-methyl-5-phenyl-1H-imidazole-2-thiol 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-methylaminophenylacetaldehyde diethylacetal → 4-phenyl-3-methyl-1,3-imidazole-2-thione (25433-13-0)

Guidance literature:

With hydrogenchloride; sodium carbonate; sodium chloride; In ethanol; water; ethyl acetate;

Reference yield:

→ 5-phenylmethimazole (25433-13-0)

Guidance literature:

Reference yield: 66.0%

(chlorocarbonyl)phenyl ketene (17118-70-6) + 4-phenyl-3-methyl-1,3-imidazole-2-thione (25433-13-0) → anhydro-3,7-Diphenyl-2-hydroxy-8-methyl-4-oxo-4H-imidazo<2,1-b><1,3>thiazinium hydroxide (73384-46-0)

Guidance literature:

In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1021/jo01300a042

Downstream raw materials:

1-methyl-5-phenyl-2[(2-oxopropyl)thio]imidazole

anhydro-3,7-Diphenyl-2-hydroxy-8-methyl-4-oxo-4H-imidazo<2,1-b><1,3>thiazinium hydroxide

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