ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-3-phenylpropanoic acid | C13H16O6S2

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-3-phenylpropanoic acid

  • Molecular FormulaC13H16O6S2
  • Average mass332.392 Da
  • Monoisotopic mass332.038818 Da
  • ChemSpider ID38734198

More details:

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

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-3-phenylpropanoic acid [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-3-phenylpropansäure [German] [ACD/IUPAC Name]
Acide 2-[(1,1-dioxydotétrahydro-3-thiophényl)sulfonyl]-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[(tetrahydro-1,1-dioxido-3-thienyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 677.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.5±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 221.1±5.0 cm3

Click to predict properties on the Chemicalize site


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