ChemSpider 2D Image | 6-[(5Z)-5-(5-Bromo-2-propoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid | C19H22BrNO4S2

6-[(5Z)-5-(5-Bromo-2-propoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid

  • Molecular FormulaC19H22BrNO4S2
  • Average mass472.416 Da
  • Monoisotopic mass471.017365 Da
  • ChemSpider ID22915747

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Thiazolidinehexanoic acid, 5-[(5-bromo-2-propoxyphenyl)methylene]-4-oxo-2-thioxo-, (5Z)- [ACD/Index Name]
6-[(5Z)-5-(5-Brom-2-propoxybenzyliden)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexansäure [German] [ACD/IUPAC Name]
6-[(5Z)-5-(5-Bromo-2-propoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid [ACD/IUPAC Name]
Acide 6-[(5Z)-5-(5-bromo-2-propoxybenzylidène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.0±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 66.78
ACD/KOC (pH 5.5): 410.55
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 6.55
Polar Surface Area: 124 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 312.4±5.0 cm3

Click to predict properties on the Chemicalize site


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