ChemSpider 2D Image | 1-(5-Chloro-2-thienyl)-3-(2-pyridinyl)-1,3-propanedione | C12H8ClNO2S

1-(5-Chloro-2-thienyl)-3-(2-pyridinyl)-1,3-propanedione

  • Molecular FormulaC12H8ClNO2S
  • Average mass265.715 Da
  • Monoisotopic mass264.996429 Da
  • ChemSpider ID28550365

More details:

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

1-(5-Chlor-2-thienyl)-3-(2-pyridinyl)-1,3-propandion [German] [ACD/IUPAC Name]
1-(5-Chloro-2-thienyl)-3-(2-pyridinyl)-1,3-propanedione [ACD/IUPAC Name]
1-(5-Chloro-2-thiényl)-3-(2-pyridinyl)-1,3-propanedione [French] [ACD/IUPAC Name]
1,3-Propanedione, 1-(5-chloro-2-thienyl)-3-(2-pyridinyl)- [ACD/Index Name]
919095-48-0 [RN]
1-(5-Chlorothiophen-2-yl)-3-(pyridin-2-yl)propane-1,3-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 463.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.0±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 86.30
ACD/KOC (pH 5.5): 834.73
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 22.75
ACD/KOC (pH 7.4): 220.04
Polar Surface Area: 75 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 191.5±3.0 cm3

Click to predict properties on the Chemicalize site


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