4,5-DIPHENYL-2-IMIDAZOLETHIOL

Base Information

• Chemical Name: 4,5-DIPHENYL-2-IMIDAZOLETHIOL
• CAS No.: 2349-58-8
• Deprecated CAS: 3718-54-5
• Molecular Formula: C15H12 N2 S
• Molecular Weight: 252.34
• Hs Code.: 29332990
• European Community (EC) Number: 219-077-9
• DSSTox Substance ID: DTXSID40178055
• Nikkaji Number: J213.203F
• ChEMBL ID: CHEMBL2207973
• Mol file: 2349-58-8.mol

Synonyms:4-Imidazoline-2-thione,4,5-diphenyl- (5CI); Imidazole-2-thiol, 4,5-diphenyl- (6CI,7CI,8CI);2-Mercapto-4,5-diphenylimidazole; 4,5-Diphenyl-1H-imidazole-2-thiol;4,5-Diphenyl-2-imidazolethiol; 4,5-Diphenyl-2-mercaptoimidazole;4,5-Diphenyl-4-imidazoline-2-thione; 4,5-Diphenylimidazoline-2-thione;4,5-Diphenylmercaptoimidazole

Chemical Property of 4,5-DIPHENYL-2-IMIDAZOLETHIOL

Chemical Property:

• Appearance/Colour: white to light yellow fine crystalline powder
• Vapor Pressure: 7.51E-07mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 407.5°Cat760mmHg
• PKA: 10.17±0.70(Predicted)
• Flash Point: 200.3°C
• PSA: 67.48000
• Density: 1.29g/cm³
• LogP: 4.03240
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 252.07211956
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

95% ^*data from raw suppliers

4,5-Diphenyl-2-imidazolethiol 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(NC(=S)N2)C3=CC=CC=C3
• Uses: 4,5-Diphenyl-2-imidazolethiol may be used in chemical synthesis studies.

Technology Process of 4,5-DIPHENYL-2-IMIDAZOLETHIOL

There total 11 articles about 4,5-DIPHENYL-2-IMIDAZOLETHIOL 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: 85.0%

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) + thiourea (17356-08-0) → 4,5-Diphenylimidazole-2-thione (2349-58-8)

Guidance literature:

With Montmorillonite K-10 clay; for 0.05h; microwave irradiation;

Reference yield: 79.0%

ammonium thiocyanate (1147550-11-5) + 2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → 4,5-diphenyl-1H-imidazole-2-thiol (2349-58-8)

Guidance literature:

at 165 - 175 ℃;

Reference yield: 79.0%

ammonium thiocyanate (1147550-11-5) + 2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → 4,5-Diphenylimidazole-2-thione (2349-58-8)

Guidance literature:

In i-Amyl alcohol; for 1h; Heating;

upstream raw materials:

ammonium thiocyanate

2-hydroxy-2-phenylacetophenone

thiourea

benzaldehyde

Downstream raw materials:

N,N'-dibenzoylurea

2-ethylsulfanyl-4,5-diphenyl-1H-imidazole

meso-1,2-diphenyl-1,2-diaminoethane

benzil