1-(2,6-diethylphenyl)-1H-imidazole-2-thiol

Base Information

• Chemical Name: 1-(2,6-diethylphenyl)-1H-imidazole-2-thiol
• CAS No.: 25372-34-3
• Molecular Formula: C13H16 N2 S
• Molecular Weight: 232.3445
• DSSTox Substance ID: DTXSID2075213
• Mol file: 25372-34-3.mol

Synonyms:1-(2,6-diethylphenyl)-1H-imidazole-2-thiol;25372-34-3;3-(2,6-diethylphenyl)-1H-imidazole-2-thione;1-(2,6-Diethylphenyl)imidazole-2-thiol;Imidazole-2-thiol, 1-(2,6-diethylphenyl)-;1H-Imidazole-2-thiol, 1-(2,6-diethylphenyl)-;2H-Imidazole-2-thione, 1-(2,6-diethylphenyl)-1,3-dihydro-;F2147-0390;DTXSID2075213;AKOS005207441;LS-78917;EN300-61828

Chemical Property of 1-(2,6-diethylphenyl)-1H-imidazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Boiling Point: 337.1°C at 760 mmHg
• Flash Point: 157.7°C
• Density: 1.17g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 232.10341969
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)N2C=CNC2=S

Technology Process of 1-(2,6-diethylphenyl)-1H-imidazole-2-thiol

There total 4 articles about 1-(2,6-diethylphenyl)-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:

1-(2,2-diethoxy-ethyl)-3-(2,6-diethyl-phenyl)-thiourea (1023254-39-8) → 1-(2,6-Diethyl-phenyl)-1H-imidazole-2-thiol (25372-34-3)

Guidance literature:

With hydrogenchloride; In water; for 0.5h; heating;

DOI:10.1021/ja028142b

Reference yield:

2,6-diethylaniline (579-66-8) → 1-(2,6-Diethyl-phenyl)-1H-imidazole-2-thiol (25372-34-3)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂O / 1 h

2: ethanol / heating

3: 1N HCl / H₂O / 0.5 h / heating

With hydrogenchloride; In ethanol; water;

DOI:10.1021/ja028142b

Reference yield:

2,6-diethylphenyl isothiocyanate (25343-69-5) → 1-(2,6-Diethyl-phenyl)-1H-imidazole-2-thiol (25372-34-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / heating

2: 1N HCl / H₂O / 0.5 h / heating

With hydrogenchloride; In ethanol; water;

DOI:10.1021/ja028142b

upstream raw materials:

1-(2,2-diethoxy-ethyl)-3-(2,6-diethyl-phenyl)-thiourea

2,6-diethylaniline

2,6-diethylphenyl isothiocyanate

Downstream raw materials:

1-(2,6-diethylphenyl)-1H-imidazole

Refernces