ChemSpider 2D Image | Ethyl 4-(2-oxo-1,3-benzothiazol-3(2H)-yl)butanoate | C13H15NO3S

Ethyl 4-(2-oxo-1,3-benzothiazol-3(2H)-yl)butanoate

  • Molecular FormulaC13H15NO3S
  • Average mass265.328 Da
  • Monoisotopic mass265.077271 Da
  • ChemSpider ID21122355

More details:

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

3(2H)-Benzothiazolebutanoic acid, 2-oxo-, ethyl ester [ACD/Index Name]
4-(2-Oxo-1,3-benzothiazol-3(2H)-yl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(2-oxo-1,3-benzothiazol-3(2H)-yl)butanoate [ACD/IUPAC Name]
Ethyl-4-(2-oxo-1,3-benzothiazol-3(2H)-yl)butanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 413.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.9±29.3 °C
Index of Refraction: 1.579
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.24
ACD/KOC (pH 5.5): 436.53
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.24
ACD/KOC (pH 7.4): 436.53
Polar Surface Area: 72 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 212.6±3.0 cm3

Click to predict properties on the Chemicalize site


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