ChemSpider 2D Image | 1-(2,5-Dimethyl-3-thienyl)-N-[4-(methylsulfanyl)benzyl]ethanamine | C16H21NS2

1-(2,5-Dimethyl-3-thienyl)-N-[4-(methylsulfanyl)benzyl]ethanamine

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID33227934

More details:

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

1-(2,5-Dimethyl-3-thienyl)-N-[4-(methylsulfanyl)benzyl]ethanamin [German] [ACD/IUPAC Name]
1-(2,5-Dimethyl-3-thienyl)-N-[4-(methylsulfanyl)benzyl]ethanamine [ACD/IUPAC Name]
1-(2,5-Diméthyl-3-thiényl)-N-[4-(méthylsulfanyl)benzyl]éthanamine [French] [ACD/IUPAC Name]
3-Thiophenemethanamine, α,2,5-trimethyl-N-[[4-(methylthio)phenyl]methyl]- [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: 413.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.6±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 13.17
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 121.88
ACD/KOC (pH 7.4): 471.03
Polar Surface Area: 66 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 259.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement