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

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

  • Molecular FormulaC18H10F3NO3S2
  • Average mass409.402 Da
  • Monoisotopic mass409.005432 Da
  • ChemSpider ID35377106

More details:

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

4-{4-Oxo-2-thioxo-5-[3-(trifluormethyl)benzyliden]-1,3-thiazolidin-3-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{4-Oxo-2-thioxo-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-{4-oxo-2-thioxo-5-[3-(trifluorométhyl)benzylidène]-1,3-thiazolidin-3-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-oxo-2-thioxo-5-[[3-(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: 555.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.5±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: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 33.66
ACD/KOC (pH 5.5): 181.75
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.05
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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