ChemSpider 2D Image | 3-[(1E)-1-Propen-1-ylsulfinyl]alanine | C6H11NO3S

3-[(1E)-1-Propen-1-ylsulfinyl]alanine

  • Molecular FormulaC6H11NO3S
  • Average mass177.221 Da
  • Monoisotopic mass177.045959 Da
  • ChemSpider ID13392986

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(1E)-1-Propen-1-ylsulfinyl]alanin [German] [ACD/IUPAC Name]
3-[(1E)-1-Propen-1-ylsulfinyl]alanine [ACD/IUPAC Name]
3-[(1E)-1-Propén-1-ylsulfinyl]alanine [French] [ACD/IUPAC Name]
3-[(1E)-prop-1-en-1-ylsulfinyl]alanine
Alanine, 3-[(1E)-1-propen-1-ylsulfinyl]- [ACD/Index Name]
(+)-trans-isoalliin
16718-23-3 [RN]
23315-20-0 [RN]
2-AMINO-3-(PROP-1-ENE-1-SULFINYL)PROPANOIC ACID
434322-95-9 [RN]
More...

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

C08295 [DBID]

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

Density: 1.4±0.1 g/cm3
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: 1.593
Molar Refractivity: 43.8±0.3 cm3
#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: 100 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 129.4±3.0 cm3

Click to predict properties on the Chemicalize site


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