ChemSpider 2D Image | 4-{[2-(Methylsulfonyl)ethyl]sulfinyl}butanoic acid | C7H14O5S2

4-{[2-(Methylsulfonyl)ethyl]sulfinyl}butanoic acid

  • Molecular FormulaC7H14O5S2
  • Average mass242.313 Da
  • Monoisotopic mass242.028259 Da
  • ChemSpider ID43675770

More details:

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

4-{[2-(Methylsulfonyl)ethyl]sulfinyl}butanoic acid [ACD/IUPAC Name]
4-{[2-(Methylsulfonyl)ethyl]sulfinyl}butansäure [German] [ACD/IUPAC Name]
Acide 4-{[2-(méthylsulfonyl)éthyl]sulfinyl}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(methylsulfonyl)ethyl]sulfinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 608.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 322.0±27.3 °C
Index of Refraction: 1.549
Molar Refractivity: 53.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site


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