ChemSpider 2D Image | 4-[(2E)-3-(Methylsulfanyl)-2-propen-1-yl]-1,3-benzodioxole | C11H12O2S

4-[(2E)-3-(Methylsulfanyl)-2-propen-1-yl]-1,3-benzodioxole

  • Molecular FormulaC11H12O2S
  • Average mass208.277 Da
  • Monoisotopic mass208.055801 Da
  • ChemSpider ID57455754

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzodioxole, 4-[(2E)-3-(methylthio)-2-propen-1-yl]- [ACD/Index Name]
4-[(2E)-3-(Methylsulfanyl)-2-propen-1-yl]-1,3-benzodioxol [German] [ACD/IUPAC Name]
4-[(2E)-3-(Methylsulfanyl)-2-propen-1-yl]-1,3-benzodioxole [ACD/IUPAC Name]
4-[(2E)-3-(Méthylsulfanyl)-2-propén-1-yl]-1,3-benzodioxole [French] [ACD/IUPAC Name]
1,3-BENZODIOXOLE,4-[3-(METHYLTHIO)-2-PROPEN-1-YL]-
3'-Methylmercaptoisosafrole
40581-84-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 339.0±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 158.8±24.8 °C
Index of Refraction: 1.597
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.68
ACD/KOC (pH 5.5): 910.91
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.68
ACD/KOC (pH 7.4): 910.91
Polar Surface Area: 44 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 174.0±3.0 cm3

Click to predict properties on the Chemicalize site


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