ChemSpider 2D Image | 4-(2-Thienyl)-1-isoindolinone | C12H9NOS

4-(2-Thienyl)-1-isoindolinone

  • Molecular FormulaC12H9NOS
  • Average mass215.271 Da
  • Monoisotopic mass215.040482 Da
  • ChemSpider ID24808905

More details:

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

1H-Isoindol-1-one, 2,3-dihydro-4-(2-thienyl)- [ACD/Index Name]
4-(2-Thienyl)-1-isoindolinon [German] [ACD/IUPAC Name]
4-(2-Thienyl)-1-isoindolinone [ACD/IUPAC Name]
4-(2-Thiényl)-1-isoindolinone [French] [ACD/IUPAC Name]
Kinome_1174

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.6±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 60.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.45
ACD/KOC (pH 5.5): 491.89
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.45
ACD/KOC (pH 7.4): 491.89
Polar Surface Area: 57 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 165.8±3.0 cm3

Click to predict properties on the Chemicalize site


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