ChemSpider 2D Image | ethyl 4-{[(5-methyl-2-thienyl)methylene]amino}benzoate | C15H15NO2S

ethyl 4-{[(5-methyl-2-thienyl)methylene]amino}benzoate

  • Molecular FormulaC15H15NO2S
  • Average mass273.350 Da
  • Monoisotopic mass273.082336 Da
  • ChemSpider ID35359412

More details:

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

4-{[(5-Méthyl-2-thiényl)méthylène]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
benzoic acid, 4-[[(5-methyl-2-thienyl)methylene]amino]-, ethyl ester [ACD/Index Name]
ethyl 4-{[(5-methyl-2-thienyl)methylene]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[(5-methyl-2-thienyl)methylen]amino}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.1±27.3 °C
Index of Refraction: 1.580
Molar Refractivity: 79.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 967.73
ACD/KOC (pH 5.5): 4771.61
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 968.81
ACD/KOC (pH 7.4): 4776.91
Polar Surface Area: 67 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 238.3±7.0 cm3

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