ChemSpider 2D Image | 6-[4-(Ethylsulfanyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline | C20H23NS

6-[4-(Ethylsulfanyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

  • Molecular FormulaC20H23NS
  • Average mass309.468 Da
  • Monoisotopic mass309.155121 Da
  • ChemSpider ID25040859

More details:

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

6-[4-(Ethylsulfanyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
6-[4-(Éthylsulfanyl)phényl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
6-[4-(Ethylsulfanyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline [ACD/IUPAC Name]
Pyrrolo[2,1-a]isoquinoline, 6-[4-(ethylthio)phenyl]-1,2,3,5,6,10b-hexahydro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 223.1±25.4 °C
Index of Refraction: 1.649
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 10.02
ACD/KOC (pH 5.5): 30.20
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 421.00
ACD/KOC (pH 7.4): 1268.96
Polar Surface Area: 29 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 264.3±5.0 cm3

Click to predict properties on the Chemicalize site


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