ChemSpider 2D Image | 3-[(2E)-2-[(4-Chlorophenyl)imino]-4-(4-isobutylphenyl)-1,3-thiazol-3(2H)-yl]-1-propanol | C22H25ClN2OS

3-[(2E)-2-[(4-Chlorophenyl)imino]-4-(4-isobutylphenyl)-1,3-thiazol-3(2H)-yl]-1-propanol

  • Molecular FormulaC22H25ClN2OS
  • Average mass400.965 Da
  • Monoisotopic mass400.137604 Da
  • ChemSpider ID64887843

  • Double-bond stereo - Double-bond stereo

More details:

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

3(2H)-Thiazolepropanol, 2-[(4-chlorophenyl)imino]-4-[4-(2-methylpropyl)phenyl]-, (2E)- [ACD/Index Name]
3-[(2E)-2-[(4-Chlorophenyl)imino]-4-(4-isobutylphenyl)-1,3-thiazol-3(2H)-yl]-1-propanol [ACD/IUPAC Name]
3-[(2E)-2-[(4-Chlorophényl)imino]-4-(4-isobutylphényl)-1,3-thiazol-3(2H)-yl]-1-propanol [French] [ACD/IUPAC Name]
3-[(2E)-2-[(4-Chlorphenyl)imino]-4-(4-isobutylphenyl)-1,3-thiazol-3(2H)-yl]-1-propanol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 293.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4232.05
ACD/KOC (pH 5.5): 13723.93
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4232.07
ACD/KOC (pH 7.4): 13723.99
Polar Surface Area: 61 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 335.9±7.0 cm3

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