ChemSpider 2D Image | Methyl 2,2-dimethoxy-5,5-bis(methylsulfanyl)-3-oxo-4-pentene(dithioate) | C10H16O3S4

Methyl 2,2-dimethoxy-5,5-bis(methylsulfanyl)-3-oxo-4-pentene(dithioate)

  • Molecular FormulaC10H16O3S4
  • Average mass312.492 Da
  • Monoisotopic mass311.998230 Da
  • ChemSpider ID30657616

More details:

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

2,2-Diméthoxy-5,5-bis(méthylsulfanyl)-3-oxo-4-pentène(dithioate) de méthyle [French] [ACD/IUPAC Name]
4-Pentene(dithioic) acid, 2,2-dimethoxy-5,5-bis(methylthio)-3-oxo-, methyl ester [ACD/Index Name]
Methyl 2,2-dimethoxy-5,5-bis(methylsulfanyl)-3-oxo-4-pentene(dithioate) [ACD/IUPAC Name]
Methyl-2,2-dimethoxy-5,5-bis(methylsulfanyl)-3-oxo-4-penten(dithioat) [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 404.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.2±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2770.72
ACD/KOC (pH 5.5): 10134.51
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2770.72
ACD/KOC (pH 7.4): 10134.51
Polar Surface Area: 144 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 243.8±3.0 cm3

Click to predict properties on the Chemicalize site


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