ChemSpider 2D Image | MFCD05151184 | C20H17NO5S2

MFCD05151184

  • Molecular FormulaC20H17NO5S2
  • Average mass415.483 Da
  • Monoisotopic mass415.054810 Da
  • ChemSpider ID21823050

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(5E)-5-(4-Hydroxy-3-methoxybenzyliden)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropansäure [German] [ACD/IUPAC Name]
2-[(5E)-5-(4-Hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid [ACD/IUPAC Name]
3-Thiazolidineacetic acid, 5-[(4-hydroxy-3-methoxyphenyl)methylene]-4-oxo-α-(phenylmethyl)-2-thioxo-, (5E)- [ACD/Index Name]
Acide 2-[(5E)-5-(4-hydroxy-3-méthoxybenzylidène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phénylpropanoïque [French] [ACD/IUPAC Name]
MFCD05151184
2-[(5E)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
2-[5-(4-Hydroxy-3-methoxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 623.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 331.1±34.3 °C
Index of Refraction: 1.733
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.14
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 275.1±5.0 cm3

Click to predict properties on the Chemicalize site


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