ChemSpider 2D Image | 2-[(5-Formyl-2-furyl)sulfanyl]nicotinonitrile | C11H6N2O2S

2-[(5-Formyl-2-furyl)sulfanyl]nicotinonitrile

  • Molecular FormulaC11H6N2O2S
  • Average mass230.242 Da
  • Monoisotopic mass230.014999 Da
  • ChemSpider ID35000260

More details:

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

2-[(5-Formyl-2-furyl)sulfanyl]nicotinonitril [German] [ACD/IUPAC Name]
2-[(5-Formyl-2-furyl)sulfanyl]nicotinonitrile [ACD/IUPAC Name]
2-[(5-Formyl-2-furyl)sulfanyl]nicotinonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-[(5-formyl-2-furanyl)thio]- [ACD/Index Name]
1984116-55-3 [RN]
2-[(5-formylfuran-2-yl)sulfanyl]pyridine-3-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 431.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.7±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 59.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.14
ACD/KOC (pH 5.5): 243.40
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.14
ACD/KOC (pH 7.4): 243.40
Polar Surface Area: 92 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 162.6±5.0 cm3

Click to predict properties on the Chemicalize site


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