ChemSpider 2D Image | 1-(1-Benzothiophen-3-yl)-2-propen-1-one | C11H8OS

1-(1-Benzothiophen-3-yl)-2-propen-1-one

  • Molecular FormulaC11H8OS
  • Average mass188.246 Da
  • Monoisotopic mass188.029587 Da
  • ChemSpider ID37608733

More details:

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

1-(1-Benzothiophen-3-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
1-(1-Benzothiophen-3-yl)-2-propen-1-one [ACD/IUPAC Name]
1-(1-Benzothiophén-3-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-benzo[b]thien-3-yl- [ACD/Index Name]
1-(1-benzothiophen-3-yl)prop-2-en-1-one
310894-11-2 [RN]
MFCD26621462

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

Density: 1.2±0.1 g/cm3
Boiling Point: 320.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 147.7±22.9 °C
Index of Refraction: 1.649
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.35
ACD/KOC (pH 5.5): 1703.15
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.35
ACD/KOC (pH 7.4): 1703.15
Polar Surface Area: 45 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 156.2±3.0 cm3

Click to predict properties on the Chemicalize site


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