ChemSpider 2D Image | 1-(Methylsulfanyl)-3-[1-(methylsulfanyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine | C21H26N2S2

1-(Methylsulfanyl)-3-[1-(methylsulfanyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine

  • Molecular FormulaC21H26N2S2
  • Average mass370.574 Da
  • Monoisotopic mass370.153748 Da
  • ChemSpider ID31006530

More details:

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

1-(Methylsulfanyl)-3-[1-(methylsulfanyl)-5,6,7,8-tetrahydro-3-isochinolinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin [German] [ACD/IUPAC Name]
1-(Méthylsulfanyl)-3-[1-(méthylsulfanyl)-5,6,7,8-tétrahydro-3-isoquinoléinyl]-6,7,8,9-tétrahydro-5H-cyclohepta[c]pyridine [French] [ACD/IUPAC Name]
1-(Methylsulfanyl)-3-[1-(methylsulfanyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine [ACD/IUPAC Name]
5H-Cyclohepta[c]pyridine, 6,7,8,9-tetrahydro-1-(methylthio)-3-[5,6,7,8-tetrahydro-1-(methylthio)-3-isoquinolinyl]- [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: 519.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 267.7±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49010.43
ACD/KOC (pH 5.5): 78480.55
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 50655.83
ACD/KOC (pH 7.4): 81115.33
Polar Surface Area: 76 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 303.0±5.0 cm3

Click to predict properties on the Chemicalize site


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