ChemSpider 2D Image | Ethyl 4-{[2-hydroxy-2-(3-thienyl)ethyl]sulfamoyl}butanoate | C12H19NO5S2

Ethyl 4-{[2-hydroxy-2-(3-thienyl)ethyl]sulfamoyl}butanoate

  • Molecular FormulaC12H19NO5S2
  • Average mass321.413 Da
  • Monoisotopic mass321.070465 Da
  • ChemSpider ID30412857

More details:

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

4-{[2-Hydroxy-2-(3-thiényl)éthyl]sulfamoyl}butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[2-hydroxy-2-(3-thienyl)ethyl]amino]sulfonyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[2-hydroxy-2-(3-thienyl)ethyl]sulfamoyl}butanoate [ACD/IUPAC Name]
Ethyl-4-{[2-hydroxy-2-(3-thienyl)ethyl]sulfamoyl}butanoat [German] [ACD/IUPAC Name]
ETHYL 4-{[2-HYDROXY-2-(THIOPHEN-3-YL)ETHYL]SULFAMOYL}BUTANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.9±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 78.11
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 78.01
Polar Surface Area: 129 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 242.4±3.0 cm3

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