ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-3,3-bis(methylsulfanyl)-2-propen-1-one | C12H12O3S2

1-(1,3-Benzodioxol-5-yl)-3,3-bis(methylsulfanyl)-2-propen-1-one

  • Molecular FormulaC12H12O3S2
  • Average mass268.352 Da
  • Monoisotopic mass268.022797 Da
  • ChemSpider ID32838738

More details:

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

1-(1,3-Benzodioxol-5-yl)-3,3-bis(methylsulfanyl)-2-propen-1-on [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-3,3-bis(methylsulfanyl)-2-propen-1-one [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-3,3-bis(méthylsulfanyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(1,3-benzodioxol-5-yl)-3,3-bis(methylthio)- [ACD/Index Name]
1-Benzo[1,3]dioxol-5-yl-3,3-bis-methylsulfanyl-propenone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 417.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 209.4±16.7 °C
Index of Refraction: 1.630
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.16
ACD/KOC (pH 5.5): 729.54
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.16
ACD/KOC (pH 7.4): 729.54
Polar Surface Area: 86 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 203.0±3.0 cm3

Click to predict properties on the Chemicalize site


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