ChemSpider 2D Image | 3-[(2-Chlorophenyl)sulfanyl]-4-hydroxy-6-(hydroxymethyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one | C18H15ClO4S

3-[(2-Chlorophenyl)sulfanyl]-4-hydroxy-6-(hydroxymethyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC18H15ClO4S
  • Average mass362.827 Da
  • Monoisotopic mass362.037964 Da
  • ChemSpider ID58130344

More details:

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

2H-Pyran-2-one, 3-[(2-chlorophenyl)thio]-5,6-dihydro-4-hydroxy-6-(hydroxymethyl)-6-phenyl- [ACD/Index Name]
3-[(2-Chlorophenyl)sulfanyl]-4-hydroxy-6-(hydroxymethyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
3-[(2-Chlorophényl)sulfanyl]-4-hydroxy-6-(hydroxyméthyl)-6-phényl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
3-[(2-Chlorphenyl)sulfanyl]-4-hydroxy-6-(hydroxymethyl)-6-phenyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 547.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 284.8±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 15.55
ACD/KOC (pH 5.5): 125.60
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 92 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 246.0±5.0 cm3

Click to predict properties on the Chemicalize site


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