ChemSpider 2D Image | 3-[(2-Chlorophenyl)sulfanyl]-4-hydroxy-6-isopropyl-5,6-dihydro-2H-pyran-2-one | C14H15ClO3S

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

  • Molecular FormulaC14H15ClO3S
  • Average mass298.785 Da
  • Monoisotopic mass298.043030 Da
  • ChemSpider ID58127728

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-(1-methylethyl)- [ACD/Index Name]
3-[(2-Chlorophenyl)sulfanyl]-4-hydroxy-6-isopropyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
3-[(2-Chlorophényl)sulfanyl]-4-hydroxy-6-isopropyl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
3-[(2-Chlorphenyl)sulfanyl]-4-hydroxy-6-isopropyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3358879/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 440.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 220.3±28.7 °C
Index of Refraction: 1.612
Molar Refractivity: 77.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 14.68
ACD/KOC (pH 5.5): 120.52
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 72 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 222.7±5.0 cm3

Click to predict properties on the Chemicalize site


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