ChemSpider 2D Image | 2-Hydroxy-2-methyl-3-{[2-(methylsulfonyl)ethyl]sulfanyl}propanoic acid | C7H14O5S2

2-Hydroxy-2-methyl-3-{[2-(methylsulfonyl)ethyl]sulfanyl}propanoic acid

  • Molecular FormulaC7H14O5S2
  • Average mass242.313 Da
  • Monoisotopic mass242.028259 Da
  • ChemSpider ID46247013

More details:

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

2-Hydroxy-2-methyl-3-{[2-(methylsulfonyl)ethyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
2-Hydroxy-2-methyl-3-{[2-(methylsulfonyl)ethyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 2-hydroxy-2-méthyl-3-{[2-(méthylsulfonyl)éthyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-hydroxy-2-methyl-3-[[2-(methylsulfonyl)ethyl]thio]- [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: 533.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 276.6±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 54.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 171.3±3.0 cm3

Click to predict properties on the Chemicalize site


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