ChemSpider 2D Image | 1-[4-(Ethylsulfanyl)phenyl]-2-propanamine | C11H17NS

1-[4-(Ethylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC11H17NS
  • Average mass195.324 Da
  • Monoisotopic mass195.108170 Da
  • ChemSpider ID23258255

More details:

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

1-[4-(Ethylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[4-(Ethylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[4-(Éthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
1-[4-(ethylsulfanyl)phenyl]propan-2-amine
Benzeneethanamine, 4-(ethylthio)-α-methyl- [ACD/Index Name]
2-(4-Ethylsulfanyl-phenyl)-1-methyl-ethylamine
CHEMBL193309

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 305.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 138.3±23.2 °C
Index of Refraction: 1.560
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.59
Polar Surface Area: 51 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 190.3±5.0 cm3

Click to predict properties on the Chemicalize site


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