ChemSpider 2D Image | Zileuton Sulfoxide | C11H12N2O3S

Zileuton Sulfoxide

  • Molecular FormulaC11H12N2O3S
  • Average mass252.290 Da
  • Monoisotopic mass252.056870 Da
  • ChemSpider ID32814817

More details:

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

1147524-83-1 [RN]
1-Hydroxy-1-[1-(1-oxido-1-benzothiophen-2-yl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-Hydroxy-1-[1-(1-oxido-1-benzothiophen-2-yl)ethyl]urea [ACD/IUPAC Name]
1-Hydroxy-1-[1-(1-oxydo-1-benzothiophén-2-yl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-hydroxy-N-[1-(1-oxidobenzo[b]thien-2-yl)ethyl]- [ACD/Index Name]
Zileuton Sulfoxide
1-hydroxy-1-[1-(1-oxo-1λ4-benzothiophen-2-yl)ethyl]urea
N-Hydroxy-N-[1-(1-oxo-1H-1-benzothiophen-2-yl)ethyl]urea

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 558.7±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.7±30.9 °C
Index of Refraction: 1.742
Molar Refractivity: 65.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 54.18
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 53.70
Polar Surface Area: 103 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 94.5±5.0 dyne/cm
Molar Volume: 162.2±5.0 cm3

Click to predict properties on the Chemicalize site


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