ChemSpider 2D Image | 2-[4-Methyl-2,5-bis(methylsulfanyl)phenyl]ethanamine | C11H17NS2

2-[4-Methyl-2,5-bis(methylsulfanyl)phenyl]ethanamine

  • Molecular FormulaC11H17NS2
  • Average mass227.389 Da
  • Monoisotopic mass227.080246 Da
  • ChemSpider ID45598447

More details:

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

2-[4-Methyl-2,5-bis(methylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[4-Methyl-2,5-bis(methylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
2-[4-Méthyl-2,5-bis(méthylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-methyl-2,5-bis(methylthio)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 333.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 155.8±27.9 °C
Index of Refraction: 1.602
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.69
Polar Surface Area: 77 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 202.8±5.0 cm3

Click to predict properties on the Chemicalize site


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