ChemSpider 2D Image | 2-[(5E)-5-(3-Bromo-4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid | C13H9BrFNO3S2

2-[(5E)-5-(3-Bromo-4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid

  • Molecular FormulaC13H9BrFNO3S2
  • Average mass390.248 Da
  • Monoisotopic mass388.919128 Da
  • ChemSpider ID66544860

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(5E)-5-(3-Brom-4-fluorbenzyliden)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propansäure [German] [ACD/IUPAC Name]
2-[(5E)-5-(3-Bromo-4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid [ACD/IUPAC Name]
3-Thiazolidineacetic acid, 5-[(3-bromo-4-fluorophenyl)methylene]-α-methyl-4-oxo-2-thioxo-, (5E)- [ACD/Index Name]
Acide 2-[(5E)-5-(3-bromo-4-fluorobenzylidène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 521.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 269.1±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 85.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.69
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 214.8±5.0 cm3

Click to predict properties on the Chemicalize site


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