ChemSpider 2D Image | 1-(1,1-Dioxidotetrahydro-3-thiophenyl)-2-(methylsulfanyl)ethanone | C7H12O3S2

1-(1,1-Dioxidotetrahydro-3-thiophenyl)-2-(methylsulfanyl)ethanone

  • Molecular FormulaC7H12O3S2
  • Average mass208.298 Da
  • Monoisotopic mass208.022781 Da
  • ChemSpider ID45807146

More details:

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

1-(1,1-Dioxidotetrahydro-3-thiophenyl)-2-(methylsulfanyl)ethanon [German] [ACD/IUPAC Name]
1-(1,1-Dioxidotetrahydro-3-thiophenyl)-2-(methylsulfanyl)ethanone [ACD/IUPAC Name]
1-(1,1-Dioxydotétrahydro-3-thiophényl)-2-(méthylsulfanyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(methylthio)-1-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
3-[2-(methylsulfanyl)acetyl]-1??-thiolane-1,1-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 407.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.0±27.3 °C
Index of Refraction: 1.541
Molar Refractivity: 49.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.08
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.08
Polar Surface Area: 85 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 157.0±3.0 cm3

Click to predict properties on the Chemicalize site


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