ChemSpider 2D Image | 1-(Methylsulfanyl)-3-(methylsulfonyl)acetone | C5H10O3S2

1-(Methylsulfanyl)-3-(methylsulfonyl)acetone

  • Molecular FormulaC5H10O3S2
  • Average mass182.261 Da
  • Monoisotopic mass182.007141 Da
  • ChemSpider ID44330756

More details:

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

1-(Methylsulfanyl)-3-(methylsulfonyl)aceton [German] [ACD/IUPAC Name]
1-(Methylsulfanyl)-3-(methylsulfonyl)acetone [ACD/IUPAC Name]
1-(Méthylsulfanyl)-3-(méthylsulfonyl)acétone [French] [ACD/IUPAC Name]
2-Propanone, 1-(methylsulfonyl)-3-(methylthio)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 349.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.2±23.7 °C
Index of Refraction: 1.500
Molar Refractivity: 42.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.48
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.48
Polar Surface Area: 85 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 143.2±3.0 cm3

Click to predict properties on the Chemicalize site


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