ChemSpider 2D Image | 4-(Ethylsulfanyl)tetrahydro-3-thiopheneol 1,1-dioxide | C6H12O3S2

4-(Ethylsulfanyl)tetrahydro-3-thiopheneol 1,1-dioxide

  • Molecular FormulaC6H12O3S2
  • Average mass196.288 Da
  • Monoisotopic mass196.022781 Da
  • ChemSpider ID38418957

More details:

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

1,1-Dioxyde de 4-(éthylsulfanyl)tétrahydro-3-thiophèneol [French] [ACD/IUPAC Name]
3-Thiopheneol, 4-(ethylthio)tetrahydro-, 1,1-dioxide [ACD/Index Name]
4-(Ethylsulfanyl)tetrahydro-3-thiopheneol 1,1-dioxide [ACD/IUPAC Name]
4-(Ethylsulfanyl)tetrahydro-3-thiophenol-1,1-dioxid [German] [ACD/IUPAC Name]
3-(ethylsulfanyl)-4-hydroxy-1??-thiolane-1,1-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 433.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 215.9±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 46.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.62
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.62
Polar Surface Area: 88 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 142.2±5.0 cm3

Click to predict properties on the Chemicalize site


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