ChemSpider 2D Image | (5E)-5-[(5-Nitro-2-thienyl)methylene]-2-thioxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one | C17H14N2O6S3

(5E)-5-[(5-Nitro-2-thienyl)methylene]-2-thioxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

  • Molecular FormulaC17H14N2O6S3
  • Average mass438.498 Da
  • Monoisotopic mass438.001404 Da
  • ChemSpider ID67378331

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-[(5-Nitro-2-thienyl)methylen]-2-thioxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(5E)-5-[(5-Nitro-2-thienyl)methylene]-2-thioxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(5E)-5-[(5-Nitro-2-thiényl)méthylène]-2-thioxo-3-(3,4,5-triméthoxyphényl)-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 5-[(5-nitro-2-thienyl)methylene]-2-thioxo-3-(3,4,5-trimethoxyphenyl)-, (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: 625.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.9±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.64
ACD/KOC (pH 5.5): 1036.80
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.64
ACD/KOC (pH 7.4): 1036.80
Polar Surface Area: 179 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 81.3±5.0 dyne/cm
Molar Volume: 279.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement