ChemSpider 2D Image | 3-Cyclopropyl-N-{[5-(methylsulfonyl)-2-thienyl]carbonyl}alanine | C12H15NO5S2

3-Cyclopropyl-N-{[5-(methylsulfonyl)-2-thienyl]carbonyl}alanine

  • Molecular FormulaC12H15NO5S2
  • Average mass317.381 Da
  • Monoisotopic mass317.039154 Da
  • ChemSpider ID58006467

More details:

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

3-Cyclopropyl-N-{[5-(methylsulfonyl)-2-thienyl]carbonyl}alanin [German] [ACD/IUPAC Name]
3-Cyclopropyl-N-{[5-(methylsulfonyl)-2-thienyl]carbonyl}alanine [ACD/IUPAC Name]
3-Cyclopropyl-N-{[5-(méthylsulfonyl)-2-thiényl]carbonyl}alanine [French] [ACD/IUPAC Name]
Cyclopropanepropanoic acid, α-[[[5-(methylsulfonyl)-2-thienyl]carbonyl]amino]- [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: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.7±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 218.3±3.0 cm3

Click to predict properties on the Chemicalize site


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