ChemSpider 2D Image | 4-{4-(3-Iodophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine | C21H16IN3OS

4-{4-(3-Iodophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine

  • Molecular FormulaC21H16IN3OS
  • Average mass485.341 Da
  • Monoisotopic mass485.005859 Da
  • ChemSpider ID62649074

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[4-(3-Iodophenyl)-2-{4-[(S)-methylsulfinyl]phenyl}-1H-imidazol-5-yl]pyridine [ACD/IUPAC Name]
4-[4-(3-Iodophényl)-2-{4-[(S)-méthylsulfinyl]phényl}-1H-imidazol-5-yl]pyridine [French] [ACD/IUPAC Name]
4-[4-(3-Iodphenyl)-2-{4-[(S)-methylsulfinyl]phenyl}-1H-imidazol-5-yl]pyridin [German] [ACD/IUPAC Name]
4-{4-(3-Iodophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine [ACD/IUPAC Name]
4-{4-(3-Iodophényl)-2-[4-(méthylsulfinyl)phényl]-1H-imidazol-5-yl}pyridine [French] [ACD/IUPAC Name]
4-{4-(3-Iodphenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridin [German] [ACD/IUPAC Name]
Pyridine, 4-[4-(3-iodophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl]- [ACD/Index Name]
Pyridine, 4-[4-(3-iodophenyl)-2-[4-[(S)-(1S)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 674.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 362.0±31.5 °C
Index of Refraction: 1.776
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1461.43
ACD/KOC (pH 5.5): 6310.19
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1542.09
ACD/KOC (pH 7.4): 6658.48
Polar Surface Area: 78 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 89.2±5.0 dyne/cm
Molar Volume: 279.6±5.0 cm3

Click to predict properties on the Chemicalize site


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