ChemSpider 2D Image | 3-(Methylsulfanyl)-1,8-phenanthrolin-4-ol | C13H10N2OS

3-(Methylsulfanyl)-1,8-phenanthrolin-4-ol

  • Molecular FormulaC13H10N2OS
  • Average mass242.296 Da
  • Monoisotopic mass242.051376 Da
  • ChemSpider ID24808312

More details:

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

1,8-Phenanthrolin-4-ol, 3-(methylthio)- [ACD/Index Name]
3-(Methylsulfanyl)-1,8-phenanthrolin-4-ol [German] [ACD/IUPAC Name]
3-(Methylsulfanyl)-1,8-phenanthrolin-4-ol [ACD/IUPAC Name]
3-(Méthylsulfanyl)-1,8-phénanthrolin-4-ol [French] [ACD/IUPAC Name]
Kinome_3696

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 241.1±28.7 °C
Index of Refraction: 1.777
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 13.25
ACD/KOC (pH 5.5): 142.03
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 6.12
ACD/KOC (pH 7.4): 65.59
Polar Surface Area: 71 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 171.3±5.0 cm3

Click to predict properties on the Chemicalize site


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