ChemSpider 2D Image | N-[(2-Cyano-3-thienyl)sulfonyl]-N-methylalanine | C9H10N2O4S2

N-[(2-Cyano-3-thienyl)sulfonyl]-N-methylalanine

  • Molecular FormulaC9H10N2O4S2
  • Average mass274.317 Da
  • Monoisotopic mass274.008209 Da
  • ChemSpider ID67926131

More details:

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

Alanine, N-[(2-cyano-3-thienyl)sulfonyl]-N-methyl- [ACD/Index Name]
N-[(2-Cyan-3-thienyl)sulfonyl]-N-methylalanin [German] [ACD/IUPAC Name]
N-[(2-Cyano-3-thienyl)sulfonyl]-N-methylalanine [ACD/IUPAC Name]
N-[(2-Cyano-3-thiényl)sulfonyl]-N-méthylalanine [French] [ACD/IUPAC 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: 511.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.2±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 177.2±5.0 cm3

Click to predict properties on the Chemicalize site


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