ChemSpider 2D Image | (5E)-5-(4-Hydroxy-3-methoxy-5-nitrobenzylidene)-3-(3-pyridinylmethyl)-2-thioxo-1,3-thiazolidin-4-one | C17H13N3O5S2

(5E)-5-(4-Hydroxy-3-methoxy-5-nitrobenzylidene)-3-(3-pyridinylmethyl)-2-thioxo-1,3-thiazolidin-4-one

  • Molecular FormulaC17H13N3O5S2
  • Average mass403.432 Da
  • Monoisotopic mass403.029663 Da
  • ChemSpider ID66440977

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-(4-Hydroxy-3-methoxy-5-nitrobenzyliden)-3-(3-pyridinylmethyl)-2-thioxo-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(5E)-5-(4-Hydroxy-3-methoxy-5-nitrobenzylidene)-3-(3-pyridinylmethyl)-2-thioxo-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(5E)-5-(4-Hydroxy-3-méthoxy-5-nitrobenzylidène)-3-(3-pyridinylméthyl)-2-thioxo-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-3-(3-pyridinylmethyl)-2-thioxo-, (5E)- [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: 591.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 311.2±32.9 °C
Index of Refraction: 1.754
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 6.57
ACD/KOC (pH 5.5): 99.07
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 166 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 96.2±5.0 dyne/cm
Molar Volume: 252.0±5.0 cm3

Click to predict properties on the Chemicalize site


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