ChemSpider 2D Image | 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid | C14H11NO5S2

4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid

  • Molecular FormulaC14H11NO5S2
  • Average mass337.371 Da
  • Monoisotopic mass337.007874 Da
  • ChemSpider ID26326247

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-{[5-(Methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2Z)-4-{[5-(Methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
[2,2'-Bithiophene]-5-carboxylic acid, 4-[[(2Z)-3-carboxy-1-oxo-2-propen-1-yl]amino]-, 5-methyl ester [ACD/Index Name]
4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid
Acide (2Z)-4-{[5-(méthoxycarbonyl)-2,2'-bithiophén-4-yl]amino}-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 621.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.5±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 225.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement