ChemSpider 2D Image | [4-(Methylsulfanyl)phenyl](2-pyridinyl)methanone | C13H11NOS

[4-(Methylsulfanyl)phenyl](2-pyridinyl)methanone

  • Molecular FormulaC13H11NOS
  • Average mass229.298 Da
  • Monoisotopic mass229.056137 Da
  • ChemSpider ID28713111

More details:

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

[4-(Methylsulfanyl)phenyl](2-pyridinyl)methanon [German] [ACD/IUPAC Name]
[4-(Methylsulfanyl)phenyl](2-pyridinyl)methanone [ACD/IUPAC Name]
[4-(Méthylsulfanyl)phényl](2-pyridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(methylthio)phenyl]-2-pyridinyl- [ACD/Index Name]
(4-(Methylthio)phenyl)(pyridin-2-yl)methanone
[4-(Methylsulfanyl)phenyl](pyridin-2-yl)methanone
2-((4-Methylthio)benzoyl)pyridine
2-[4-(METHYLSULFANYL)BENZOYL]PYRIDINE
95898-77-4 [RN]
atoms 16 bonds 17
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 390.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 190.1±22.3 °C
Index of Refraction: 1.632
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 74.00
ACD/KOC (pH 5.5): 757.34
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 74.19
ACD/KOC (pH 7.4): 759.30
Polar Surface Area: 55 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 186.8±5.0 cm3

Click to predict properties on the Chemicalize site


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