ChemSpider 2D Image | N-[4-(Methylsulfanyl)benzyl]-1-(5-methyl-2-thienyl)-2-propanamine | C16H21NS2

N-[4-(Methylsulfanyl)benzyl]-1-(5-methyl-2-thienyl)-2-propanamine

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID46248875

More details:

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

2-Thiopheneethanamine, α,5-dimethyl-N-[[4-(methylthio)phenyl]methyl]- [ACD/Index Name]
N-[4-(Methylsulfanyl)benzyl]-1-(5-methyl-2-thienyl)-2-propanamin [German] [ACD/IUPAC Name]
N-[4-(Methylsulfanyl)benzyl]-1-(5-methyl-2-thienyl)-2-propanamine [ACD/IUPAC Name]
N-[4-(Méthylsulfanyl)benzyl]-1-(5-méthyl-2-thiényl)-2-propanamine [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: 416.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.4±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: 4.55
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 9.32
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 56.60
ACD/KOC (pH 7.4): 225.55
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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