ChemSpider 2D Image | (2Z,5E)-5-[5-Bromo-2-(octyloxy)benzylidene]-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one | C32H35BrN2O2S

(2Z,5E)-5-[5-Bromo-2-(octyloxy)benzylidene]-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one

  • Molecular FormulaC32H35BrN2O2S
  • Average mass591.602 Da
  • Monoisotopic mass590.160278 Da
  • ChemSpider ID68332401

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,5E)-5-[5-Brom-2-(octyloxy)benzyliden]-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(2Z,5E)-5-[5-Bromo-2-(octyloxy)benzylidene]-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2Z,5E)-5-[5-Bromo-2-(octyloxy)benzylidène]-3-(4-méthylphényl)-2-[(4-méthylphényl)imino]-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 5-[[5-bromo-2-(octyloxy)phenyl]methylene]-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-, (2Z,5E)- [ACD/Index 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: 684.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.4±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 163.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.93
ACD/LogD (pH 5.5): 10.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6544644.00
ACD/LogD (pH 7.4): 10.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6544651.00
Polar Surface Area: 67 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 476.7±7.0 cm3

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