ChemSpider 2D Image | 4-{[(4-Methylphenyl)sulfonyl]sulfanyl}butanoic acid | C11H14O4S2

4-{[(4-Methylphenyl)sulfonyl]sulfanyl}butanoic acid

  • Molecular FormulaC11H14O4S2
  • Average mass274.357 Da
  • Monoisotopic mass274.033356 Da
  • ChemSpider ID21783049

More details:

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

4-{[(4-Methylphenyl)sulfonyl]sulfanyl}butanoic acid [ACD/IUPAC Name]
4-{[(4-Methylphenyl)sulfonyl]sulfanyl}butansäure [German] [ACD/IUPAC Name]
Acide 4-{[(4-méthylphényl)sulfonyl]sulfanyl}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(4-methylphenyl)sulfonyl]thio]- [ACD/Index Name]
4-(((4-methylphenyl)sulfonyl)thio)butanoic 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: 479.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 243.9±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 24.14
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 205.6±3.0 cm3

Click to predict properties on the Chemicalize site


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