ChemSpider 2D Image | 2-Ammonio-3-[(1E)-1-propen-1-ylsulfinyl]propanoate | C6H9NO3S

2-Ammonio-3-[(1E)-1-propen-1-ylsulfinyl]propanoate

  • Molecular FormulaC6H9NO3S
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID24784795
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

2-Ammonio-3-[(1E)-1-propen-1-ylsulfinyl]propanoat [German] [ACD/IUPAC Name]
2-Ammonio-3-[(1E)-1-propen-1-ylsulfinyl]propanoate [ACD/IUPAC Name]
2-Ammonio-3-[(1E)-1-propén-1-ylsulfinyl]propanoate [French] [ACD/IUPAC Name]
Alanine, 3-[(1E)-1-propen-1-ylsulfinyl]- [ACD/Index Name]
isoalliin
PRENSCO*S-1-propenyl-L-cysteine sulfoxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 422.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±6.0 kJ/mol
Flash Point: 209.5±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -3.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

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