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Search term: MHMQTYKFLPBZEM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Hydroxy-5-phenyl-2-(2-pyrimidinylsulfanyl)-2-cyclohexen-1-one | C16H14N2O2S

3-Hydroxy-5-phenyl-2-(2-pyrimidinylsulfanyl)-2-cyclohexen-1-one

  • Molecular FormulaC16H14N2O2S
  • Average mass298.360 Da
  • Monoisotopic mass298.077606 Da
  • ChemSpider ID58110093

More details:

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

2-Cyclohexen-1-one, 3-hydroxy-5-phenyl-2-(2-pyrimidinylthio)- [ACD/Index Name]
3-Hydroxy-5-phenyl-2-(2-pyrimidinylsulfanyl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
3-Hydroxy-5-phenyl-2-(2-pyrimidinylsulfanyl)-2-cyclohexen-1-one [ACD/IUPAC Name]
3-Hydroxy-5-phényl-2-(2-pyrimidinylsulfanyl)-2-cyclohexén-1-one [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: 510.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 262.5±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 81.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 217.6±5.0 cm3

Click to predict properties on the Chemicalize site


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