ChemSpider 2D Image | 1-Hydroxy-1-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]urea | C11H12N2O3S

1-Hydroxy-1-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]urea

  • Molecular FormulaC11H12N2O3S
  • Average mass252.290 Da
  • Monoisotopic mass252.056870 Da
  • ChemSpider ID35032780

More details:

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

1-Hydroxy-1-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-Hydroxy-1-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]urea [ACD/IUPAC Name]
1-Hydroxy-1-[1-(6-hydroxy-1-benzothiophén-2-yl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-hydroxy-N-[1-(6-hydroxybenzo[b]thien-2-yl)ethyl]- [ACD/Index Name]
Hydroxyzileuton

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: 1.5±0.1 g/cm3
Boiling Point: 515.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 265.7±32.9 °C
Index of Refraction: 1.740
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.63
ACD/KOC (pH 5.5): 344.82
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.18
ACD/KOC (pH 7.4): 338.60
Polar Surface Area: 115 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 80.7±3.0 dyne/cm
Molar Volume: 167.1±3.0 cm3

Click to predict properties on the Chemicalize site


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