ChemSpider 2D Image | 2-Methyl-N-[4-(methylsulfanyl)benzyl]-2-(2-thienyl)-1-propanamine | C16H21NS2

2-Methyl-N-[4-(methylsulfanyl)benzyl]-2-(2-thienyl)-1-propanamine

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID48513524

More details:

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

2-Methyl-N-[4-(methylsulfanyl)benzyl]-2-(2-thienyl)-1-propanamin [German] [ACD/IUPAC Name]
2-Methyl-N-[4-(methylsulfanyl)benzyl]-2-(2-thienyl)-1-propanamine [ACD/IUPAC Name]
2-Méthyl-N-[4-(méthylsulfanyl)benzyl]-2-(2-thiényl)-1-propanamine [French] [ACD/IUPAC Name]
2-Thiopheneethanamine, β,β-dimethyl-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: 413.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.1±25.9 °C
Index of Refraction: 1.600
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 9.58
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 54.51
ACD/KOC (pH 7.4): 211.36
Polar Surface Area: 66 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 260.4±5.0 cm3

Click to predict properties on the Chemicalize site


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