ChemSpider 2D Image | 4-[(4Z)-4-[(2E,4E)-4-(4-Oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2-buten-1-ylidene]-1(4H)-quinolinyl]-1-butanesulfonic acid | C23H26N2O4S3

4-[(4Z)-4-[(2E,4E)-4-(4-Oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2-buten-1-ylidene]-1(4H)-quinolinyl]-1-butanesulfonic acid

  • Molecular FormulaC23H26N2O4S3
  • Average mass490.659 Da
  • Monoisotopic mass490.105469 Da
  • ChemSpider ID123247151

  • Double-bond stereo - Double-bond stereo

More details:

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

1(4H)-Quinolinebutanesulfonic acid, 4-[(2E,4E)-4-(4-oxo-3-propyl-2-thioxo-5-thiazolidinylidene)-2-buten-1-ylidene]-, (4Z)- [ACD/Index Name]
4-[(4Z)-4-[(2E,4E)-4-(4-Oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-yliden)-2-buten-1-yliden]-1(4H)-chinolinyl]-1-butansulfonsäure [German] [ACD/IUPAC Name]
4-[(4Z)-4-[(2E,4E)-4-(4-Oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2-buten-1-ylidene]-1(4H)-quinolinyl]-1-butanesulfonic acid [ACD/IUPAC Name]
Acide 4-[(4Z)-4-[(2E,4E)-4-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidène)-2-butén-1-ylidène]-1(4H)-quinoléinyl]-1-butanesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 347.7±5.0 cm3

Click to predict properties on the Chemicalize site


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