ChemSpider 2D Image | 2-(Allylsulfanyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine | C11H17NS2

2-(Allylsulfanyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine

  • Molecular FormulaC11H17NS2
  • Average mass227.389 Da
  • Monoisotopic mass227.080246 Da
  • ChemSpider ID49948855

More details:

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

2-(Allylsulfanyl)-N-[(5-methyl-2-thienyl)methyl]ethanamin [German] [ACD/IUPAC Name]
2-(Allylsulfanyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine [ACD/IUPAC Name]
2-(Allylsulfanyl)-N-[(5-méthyl-2-thiényl)méthyl]éthanamine [French] [ACD/IUPAC Name]
2-Thiophenemethanamine, 5-methyl-N-[2-(2-propen-1-ylthio)ethyl]- [ACD/Index Name]
1593276-14-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 332.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 154.8±27.9 °C
Index of Refraction: 1.563
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.45
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 37.90
ACD/KOC (pH 7.4): 272.05
Polar Surface Area: 66 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 211.9±3.0 cm3

Click to predict properties on the Chemicalize site


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