ChemSpider 2D Image | N-[1-(1-Benzothiophen-3-yl)-3-(isobutylsulfanyl)-2-propanyl]-1-propanamine | C18H27NS2

N-[1-(1-Benzothiophen-3-yl)-3-(isobutylsulfanyl)-2-propanyl]-1-propanamine

  • Molecular FormulaC18H27NS2
  • Average mass321.544 Da
  • Monoisotopic mass321.158478 Da
  • ChemSpider ID48442092

More details:

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

Benzo[b]thiophene-3-ethanamine, α-[[(2-methylpropyl)thio]methyl]-N-propyl- [ACD/Index Name]
N-[1-(1-Benzothiophen-3-yl)-3-(isobutylsulfanyl)-2-propanyl]-1-propanamin [German] [ACD/IUPAC Name]
N-[1-(1-Benzothiophen-3-yl)-3-(isobutylsulfanyl)-2-propanyl]-1-propanamine [ACD/IUPAC Name]
N-[1-(1-Benzothiophén-3-yl)-3-(isobutylsulfanyl)-2-propanyl]-1-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: 459.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.9±27.3 °C
Index of Refraction: 1.582
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 13.77
ACD/KOC (pH 5.5): 31.05
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 146.02
ACD/KOC (pH 7.4): 329.28
Polar Surface Area: 66 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 301.4±3.0 cm3

Click to predict properties on the Chemicalize site


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