ChemSpider 2D Image | 3-{(5E)-4-Oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}benzoic acid | C18H10F3NO3S2

3-{(5E)-4-Oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}benzoic acid

  • Molecular FormulaC18H10F3NO3S2
  • Average mass409.402 Da
  • Monoisotopic mass409.005432 Da
  • ChemSpider ID22915906

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(5E)-4-Oxo-2-thioxo-5-[4-(trifluormethyl)benzyliden]-1,3-thiazolidin-3-yl}benzoesäure [German] [ACD/IUPAC Name]
3-{(5E)-4-Oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}benzoic acid [ACD/IUPAC Name]
Acide 3-{(5E)-4-oxo-2-thioxo-5-[4-(trifluorométhyl)benzylidène]-1,3-thiazolidin-3-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethyl)phenyl]methylene]-3-thiazolidinyl]- [ACD/Index 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: 551.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.5±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 24.97
ACD/KOC (pH 5.5): 133.15
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.47
Polar Surface Area: 115 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 254.1±5.0 cm3

Click to predict properties on the Chemicalize site


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