ChemSpider 2D Image | 2-{[4-(Propylsulfonyl)phenyl]sulfanyl}propanoic acid | C12H16O4S2

2-{[4-(Propylsulfonyl)phenyl]sulfanyl}propanoic acid

  • Molecular FormulaC12H16O4S2
  • Average mass288.383 Da
  • Monoisotopic mass288.049011 Da
  • ChemSpider ID34482920

More details:

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

2-{[4-(Propylsulfonyl)phenyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
2-{[4-(Propylsulfonyl)phenyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 2-{[4-(propylsulfonyl)phényl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[4-(propylsulfonyl)phenyl]thio]- [ACD/Index Name]
2-{[4-(propane-1-sulfonyl)phenyl]sulfanyl}propanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 491.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 251.0±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 73.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

Click to predict properties on the Chemicalize site


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