ChemSpider 2D Image | Methyl N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-propionyl-beta-alaninate | C11H19NO5S

Methyl N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-propionyl-β-alaninate

  • Molecular FormulaC11H19NO5S
  • Average mass277.337 Da
  • Monoisotopic mass277.098389 Da
  • ChemSpider ID21480705

More details:

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

Methyl N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-propionyl-β-alaninate [ACD/IUPAC Name]
Methyl N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-propionyl-β-alaninate
Methyl-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-propionyl-β-alaninat [German] [ACD/IUPAC Name]
N-(1,1-Dioxydotétrahydro-3-thiophényl)-N-propionyl-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(1-oxopropyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-, methyl ester [ACD/Index 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: 496.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.511
Molar Refractivity: 65.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.09
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.09
Polar Surface Area: 89 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 218.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement