ChemSpider 2D Image | {[1-(3-Iodophenyl)-5-(2-methyl-2-propanyl)-1H-imidazol-2-yl]sulfanyl}acetic acid | C15H17IN2O2S

{[1-(3-Iodophenyl)-5-(2-methyl-2-propanyl)-1H-imidazol-2-yl]sulfanyl}acetic acid

  • Molecular FormulaC15H17IN2O2S
  • Average mass416.277 Da
  • Monoisotopic mass416.005524 Da
  • ChemSpider ID37283052

More details:

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

{[1-(3-Iodophenyl)-5-(2-methyl-2-propanyl)-1H-imidazol-2-yl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[1-(3-Iodphenyl)-5-(2-methyl-2-propanyl)-1H-imidazol-2-yl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-(1,1-dimethylethyl)-1-(3-iodophenyl)-1H-imidazol-2-yl]thio]- [ACD/Index Name]
Acide {[1-(3-iodophényl)-5-(2-méthyl-2-propanyl)-1H-imidazol-2-yl]sulfanyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 545.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 283.9±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 95.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 14.19
ACD/KOC (pH 5.5): 59.58
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 80 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 262.0±7.0 cm3

Click to predict properties on the Chemicalize site


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