ChemSpider 2D Image | 3-(Phenylsulfinyl)alanine | C9H11NO3S

3-(Phenylsulfinyl)alanine

  • Molecular FormulaC9H11NO3S
  • Average mass213.253 Da
  • Monoisotopic mass213.045959 Da
  • ChemSpider ID48794342

More details:

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

3-(Phenylsulfinyl)alanin [German] [ACD/IUPAC Name]
3-(Phenylsulfinyl)alanine [ACD/IUPAC Name]
3-(Phénylsulfinyl)alanine [French] [ACD/IUPAC Name]
Alanine, 3-(phenylsulfinyl)- [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: 456.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.8±27.3 °C
Index of Refraction: 1.656
Molar Refractivity: 54.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -2.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 149.1±5.0 cm3

Click to predict properties on the Chemicalize site


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