ChemSpider 2D Image | N-[(5-Ethyl-2-thienyl)methyl]-1-[4-(methylsulfanyl)phenyl]ethanamine | C16H21NS2

N-[(5-Ethyl-2-thienyl)methyl]-1-[4-(methylsulfanyl)phenyl]ethanamine

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID39803699

More details:

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

2-Thiophenemethanamine, 5-ethyl-N-[1-[4-(methylthio)phenyl]ethyl]- [ACD/Index Name]
N-[(5-Ethyl-2-thienyl)methyl]-1-[4-(methylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
N-[(5-Ethyl-2-thienyl)methyl]-1-[4-(methylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
N-[(5-Éthyl-2-thiényl)méthyl]-1-[4-(méthylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC 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: 401.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 196.8±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 6.76
ACD/KOC (pH 5.5): 26.54
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 340.29
ACD/KOC (pH 7.4): 1335.88
Polar Surface Area: 66 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 260.1±5.0 cm3

Click to predict properties on the Chemicalize site


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