ChemSpider 2D Image | 5-Hydroxy-2-methyl-4H-pyran-4-thione | C6H6O2S

5-Hydroxy-2-methyl-4H-pyran-4-thione

  • Molecular FormulaC6H6O2S
  • Average mass142.176 Da
  • Monoisotopic mass142.008850 Da
  • ChemSpider ID35034427

More details:

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

4H-Pyran-4-thione, 5-hydroxy-2-methyl- [ACD/Index Name]
5-Hydroxy-2-methyl-4H-pyran-4-thion [German] [ACD/IUPAC Name]
5-Hydroxy-2-methyl-4H-pyran-4-thione [ACD/IUPAC Name]
5-Hydroxy-2-méthyl-4H-pyrane-4-thione [French] [ACD/IUPAC Name]
TM7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 207.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.6±6.0 kJ/mol
Flash Point: 79.2±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 37.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 51.71
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.67
Polar Surface Area: 62 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 104.8±5.0 cm3

Click to predict properties on the Chemicalize site


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