ChemSpider 2D Image | 3-{(5Z)-5-[5-Chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid | C21H13Cl3N2O4S2

3-{(5Z)-5-[5-Chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid

  • Molecular FormulaC21H13Cl3N2O4S2
  • Average mass527.828 Da
  • Monoisotopic mass525.938232 Da
  • ChemSpider ID32739506

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(5Z)-5-[5-Chlor-1-(2,6-dichlorbenzyl)-2-oxo-1,2-dihydro-3H-indol-3-yliden]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propansäure [German] [ACD/IUPAC Name]
3-{(5Z)-5-[5-Chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid [ACD/IUPAC Name]
3-Thiazolidinepropanoic acid, 5-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]-4-oxo-2-thioxo-, (5Z)- [ACD/Index Name]
Acide 3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidène]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoïque [French] [ACD/IUPAC Name]
1355339-06-8 [RN]
3-[(5Z)-5-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
rbpi-3

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

Density: 1.7±0.1 g/cm3
Boiling Point: 667.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.5±34.3 °C
Index of Refraction: 1.780
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 21.30
ACD/KOC (pH 5.5): 139.42
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.28
Polar Surface Area: 135 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 96.1±5.0 dyne/cm
Molar Volume: 304.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement