ChemSpider 2D Image | Diethyl 5-{(Z)-[(2-hydroxy-1-naphthyl)methylene]amino}-3-methyl-2,4-thiophenedicarboxylate | C22H21NO5S

Diethyl 5-{(Z)-[(2-hydroxy-1-naphthyl)methylene]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC22H21NO5S
  • Average mass411.471 Da
  • Monoisotopic mass411.114044 Da
  • ChemSpider ID30655481

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[(1Z)-(2-hydroxy-1-naphthalenyl)methylene]amino]-3-methyl-, diethyl ester [ACD/Index Name]
5-{(Z)-[(2-Hydroxy-1-naphtyl)méthylène]amino}-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-{(Z)-[(2-hydroxy-1-naphthyl)methylene]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-5-{(Z)-[(2-hydroxy-1-naphthyl)methylen]amino}-3-methyl-2,4-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: 635.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 338.0±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8956.99
ACD/KOC (pH 5.5): 23437.57
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6471.67
ACD/KOC (pH 7.4): 16934.29
Polar Surface Area: 113 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 322.5±7.0 cm3

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