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

2-[(Z)-{4-Oxo-2-thioxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid

  • Molecular FormulaC18H10F3NO3S2
  • Average mass409.402 Da
  • Monoisotopic mass409.005432 Da
  • ChemSpider ID23330905

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-{4-Oxo-2-thioxo-3-[2-(trifluormethyl)phenyl]-1,3-thiazolidin-5-yliden}methyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(Z)-{4-Oxo-2-thioxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(Z)-{4-oxo-2-thioxo-3-[2-(trifluorométhyl)phényl]-1,3-thiazolidin-5-ylidène}méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(Z)-[4-oxo-2-thioxo-3-[2-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]- [ACD/Index Name]
2-((4-oxo-2-thioxo-3-(2-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)benzoic acid
CHEMBL512539
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512539/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 541.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.5±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: 4.70
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 22.33
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.75
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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