Found 488 results

Search term: MF = 'C_{16}H_{9}N_{3}OS'
ChemSpider 2D Image | 3-(5-{[6-(Cyanomethyl)-2-pyridinyl]ethynyl}-2-thienyl)-3-oxopropanenitrile | C16H9N3OS

3-(5-{[6-(Cyanomethyl)-2-pyridinyl]ethynyl}-2-thienyl)-3-oxopropanenitrile

  • Molecular FormulaC16H9N3OS
  • Average mass291.327 Da
  • Monoisotopic mass291.046631 Da
  • ChemSpider ID91046123

More details:

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

2-Pyridineacetonitrile, 6-[2-[5-(2-cyanoacetyl)-2-thienyl]ethynyl]- [ACD/Index Name]
3-(5-{[6-(Cyanmethyl)-2-pyridinyl]ethinyl}-2-thienyl)-3-oxopropannitril [German] [ACD/IUPAC Name]
3-(5-{[6-(Cyanomethyl)-2-pyridinyl]ethynyl}-2-thienyl)-3-oxopropanenitrile [ACD/IUPAC Name]
3-(5-{[6-(Cyanométhyl)-2-pyridinyl]éthynyl}-2-thiényl)-3-oxopropanenitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.4±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.45
ACD/KOC (pH 5.5): 180.86
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 19.92
Polar Surface Area: 106 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 214.7±5.0 cm3

Click to predict properties on the Chemicalize site


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