ChemSpider 2D Image | 4-{[(2Z)-2-Cyano-3-{[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]amino}-2-propenoyl]amino}benzenesulfonic acid | C15H14N4O6S2

4-{[(2Z)-2-Cyano-3-{[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]amino}-2-propenoyl]amino}benzenesulfonic acid

  • Molecular FormulaC15H14N4O6S2
  • Average mass410.425 Da
  • Monoisotopic mass410.035461 Da
  • ChemSpider ID34783733

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[(2Z)-2-Cyan-3-{[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]amino}-2-propenoyl]amino}benzolsulfonsäure [German] [ACD/IUPAC Name]
4-{[(2Z)-2-Cyano-3-{[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]amino}-2-propenoyl]amino}benzenesulfonic acid [ACD/IUPAC Name]
Acide 4-{[(2Z)-2-cyano-3-{[2-(2,4-dioxo-1,3-thiazolidin-3-yl)éthyl]amino}-2-propenoyl]amino}benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-[[(2Z)-2-cyano-3-[[2-(2,4-dioxo-3-thiazolidinyl)ethyl]amino]-1-oxo-2-propen-1-yl]amino]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -4.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 84.5±3.0 dyne/cm
Molar Volume: 255.2±3.0 cm3

Click to predict properties on the Chemicalize site


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