ChemSpider 2D Image | 1-(2,5-Dimethyl-3-thienyl)-N-[2-(phenylsulfanyl)ethyl]ethanamine | C16H21NS2

1-(2,5-Dimethyl-3-thienyl)-N-[2-(phenylsulfanyl)ethyl]ethanamine

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID33306480

More details:

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

1-(2,5-Dimethyl-3-thienyl)-N-[2-(phenylsulfanyl)ethyl]ethanamin [German] [ACD/IUPAC Name]
1-(2,5-Dimethyl-3-thienyl)-N-[2-(phenylsulfanyl)ethyl]ethanamine [ACD/IUPAC Name]
1-(2,5-Diméthyl-3-thiényl)-N-[2-(phénylsulfanyl)éthyl]éthanamine [French] [ACD/IUPAC Name]
3-Thiophenemethanamine, α,2,5-trimethyl-N-[2-(phenylthio)ethyl]- [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: 416.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.6±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: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.25
ACD/KOC (pH 5.5): 16.17
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 174.35
ACD/KOC (pH 7.4): 663.84
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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