ChemSpider 2D Image | 5-Hydroxy-2-{[(2-methyl-3-furyl)sulfanyl]methyl}-4H-pyran-4-one | C11H10O4S

5-Hydroxy-2-{[(2-methyl-3-furyl)sulfanyl]methyl}-4H-pyran-4-one

  • Molecular FormulaC11H10O4S
  • Average mass238.260 Da
  • Monoisotopic mass238.029984 Da
  • ChemSpider ID35182059

More details:

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

4H-Pyran-4-one, 5-hydroxy-2-[[(2-methyl-3-furanyl)thio]methyl]- [ACD/Index Name]
5-Hydroxy-2-{[(2-methyl-3-furyl)sulfanyl]methyl}-4H-pyran-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-2-{[(2-methyl-3-furyl)sulfanyl]methyl}-4H-pyran-4-one [ACD/IUPAC Name]
5-Hydroxy-2-{[(2-méthyl-3-furyl)sulfanyl]méthyl}-4H-pyran-4-one [French] [ACD/IUPAC Name]
1645441-54-8 [RN]
5-HYDROXY-2-{[(2-METHYLFURAN-3-YL)SULFANYL]METHYL}-4H-PYRAN-4-ONE
5-HYDROXY-2-{[(2-METHYLFURAN-3-YL)SULFANYL]METHYL}PYRAN-4-ONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 402.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 197.4±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 60.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.20
ACD/KOC (pH 5.5): 183.24
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 7.95
ACD/KOC (pH 7.4): 142.91
Polar Surface Area: 85 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 169.4±5.0 cm3

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