ChemSpider 2D Image | (5E)-5-(4-Methoxy-3-methylbenzylidene)-3-(2-propyn-1-yl)-1,3-thiazolidine-2,4-dione | C15H13NO3S

(5E)-5-(4-Methoxy-3-methylbenzylidene)-3-(2-propyn-1-yl)-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC15H13NO3S
  • Average mass287.334 Da
  • Monoisotopic mass287.061615 Da
  • ChemSpider ID29347229
  • Double-bond stereo - Double-bond stereo


More details:






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

(5E)-5-(4-Methoxy-3-methylbenzyliden)-3-(2-propin-1-yl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5E)-5-(4-Methoxy-3-methylbenzylidene)-3-(2-propyn-1-yl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5E)-5-(4-Méthoxy-3-méthylbenzylidène)-3-(2-propyn-1-yl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[(4-methoxy-3-methylphenyl)methylene]-3-(2-propyn-1-yl)-, (5E)- [ACD/Index Name]
(5E)-5-(4-methoxy-3-methylbenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
5-(4-Methoxy-3-methyl-benzylidene)-3-prop-2-ynyl-thiazolidine-2,4-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 441.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 220.7±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.45
ACD/KOC (pH 5.5): 868.04
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.45
ACD/KOC (pH 7.4): 868.04
Polar Surface Area: 72 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 218.2±3.0 cm3

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