ChemSpider 2D Image | Diethyl 2,5-bis[(E)-(1H-pyrrol-2-ylmethylene)amino]-3,4-thiophenedicarboxylate | C20H20N4O4S

Diethyl 2,5-bis[(E)-(1H-pyrrol-2-ylmethylene)amino]-3,4-thiophenedicarboxylate

  • Molecular FormulaC20H20N4O4S
  • Average mass412.462 Da
  • Monoisotopic mass412.120514 Da
  • ChemSpider ID30656997

  • Double-bond stereo - Double-bond stereo

More details:

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

2,5-Bis[(E)-(1H-pyrrol-2-ylméthylène)amino]-3,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
3,4-Thiophenedicarboxylic acid, 2,5-bis[[(1E)-1H-pyrrol-2-ylmethylene]amino]-, diethyl ester [ACD/Index Name]
Diethyl 2,5-bis[(E)-(1H-pyrrol-2-ylmethylene)amino]-3,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-2,5-bis[(E)-(1H-pyrrol-2-ylmethylen)amino]-3,4-thiophendicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.9±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.35
ACD/KOC (pH 5.5): 1116.09
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.04
ACD/KOC (pH 7.4): 1122.12
Polar Surface Area: 137 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 308.0±7.0 cm3

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