ChemSpider 2D Image | 2-(Isobutylsulfanyl)-5-(4-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]-1H-imidazole | C21H21F3N2OS

2-(Isobutylsulfanyl)-5-(4-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]-1H-imidazole

  • Molecular FormulaC21H21F3N2OS
  • Average mass406.464 Da
  • Monoisotopic mass406.132660 Da
  • ChemSpider ID26307433

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Imidazole, 5-(4-methylphenyl)-2-[(2-methylpropyl)thio]-1-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
2-(Isobutylsulfanyl)-5-(4-methylphenyl)-1-[4-(trifluormethoxy)phenyl]-1H-imidazol [German] [ACD/IUPAC Name]
2-(Isobutylsulfanyl)-5-(4-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]-1H-imidazole [ACD/IUPAC Name]
2-(Isobutylsulfanyl)-5-(4-méthylphényl)-1-[4-(trifluorométhoxy)phényl]-1H-imidazole [French] [ACD/IUPAC Name]
1226457-88-0 [RN]
2-(isobutylthio)-5-(p-tolyl)-1-(4-(trifluoromethoxy)phenyl)-1H-imidazole
5-(4-methylphenyl)-2-[(2-methylpropyl)sulfanyl]-1-[4-(trifluoromethoxy)phenyl]-1H-imidazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 501.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.2±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52622.26
ACD/KOC (pH 5.5): 83299.59
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 52770.72
ACD/KOC (pH 7.4): 83534.60
Polar Surface Area: 52 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 36.1±7.0 dyne/cm
Molar Volume: 332.9±7.0 cm3

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