ChemSpider 2D Image | 4-[(3-Methoxyphenyl)sulfanyl]phthalonitrile | C15H10N2OS

4-[(3-Methoxyphenyl)sulfanyl]phthalonitrile

  • Molecular FormulaC15H10N2OS
  • Average mass266.318 Da
  • Monoisotopic mass266.051392 Da
  • ChemSpider ID21130492

More details:

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

1,2-Benzenedicarbonitrile, 4-[(3-methoxyphenyl)thio]- [ACD/Index Name]
4-[(3-Méthoxyphényl)sulfanyl]phtalonitrile [French] [ACD/IUPAC Name]
4-[(3-Methoxyphenyl)sulfanyl]phthalonitril [German] [ACD/IUPAC Name]
4-[(3-Methoxyphenyl)sulfanyl]phthalonitrile [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 498.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.4±28.7 °C
Index of Refraction: 1.648
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 539.05
ACD/KOC (pH 5.5): 3139.81
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 539.05
ACD/KOC (pH 7.4): 3139.81
Polar Surface Area: 82 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 206.0±5.0 cm3

Click to predict properties on the Chemicalize site


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