ChemSpider 2D Image | 5-Hydroxy-2-({[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4H-pyran-4-one | C12H8N2O4S2

5-Hydroxy-2-({[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4H-pyran-4-one

  • Molecular FormulaC12H8N2O4S2
  • Average mass308.333 Da
  • Monoisotopic mass307.992554 Da
  • ChemSpider ID35219697

More details:

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

4H-Pyran-4-one, 5-hydroxy-2-[[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]thio]methyl]- [ACD/Index Name]
5-Hydroxy-2-({[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4H-pyran-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-2-({[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4H-pyran-4-one [ACD/IUPAC Name]
5-Hydroxy-2-({[5-(2-thiényl)-1,3,4-oxadiazol-2-yl]sulfanyl}méthyl)-4H-pyran-4-one [French] [ACD/IUPAC Name]
5-hydroxy-2-({[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4H-pyran-4-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 564.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.3±32.9 °C
Index of Refraction: 1.716
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.40
ACD/KOC (pH 5.5): 159.41
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 5.87
ACD/KOC (pH 7.4): 111.42
Polar Surface Area: 139 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 89.8±5.0 dyne/cm
Molar Volume: 188.6±5.0 cm3

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