ChemSpider 2D Image | 2-(Adamantan-1-ylsulfanyl)-1-(3,4-dihydro-2(1H)-isoquinolinyl)ethanone | C21H27NOS

2-(Adamantan-1-ylsulfanyl)-1-(3,4-dihydro-2(1H)-isoquinolinyl)ethanone

  • Molecular FormulaC21H27NOS
  • Average mass341.510 Da
  • Monoisotopic mass341.181335 Da
  • ChemSpider ID30184859

More details:

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

2-(Adamantan-1-ylsulfanyl)-1-(3,4-dihydro-2(1H)-isochinolinyl)ethanon [German] [ACD/IUPAC Name]
2-(Adamantan-1-ylsulfanyl)-1-(3,4-dihydro-2(1H)-isoquinoléinyl)éthanone [French] [ACD/IUPAC Name]
2-(Adamantan-1-ylsulfanyl)-1-(3,4-dihydro-2(1H)-isoquinolinyl)ethanone [ACD/IUPAC Name]
Ethanone, 1-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(tricyclo[3.3.1.13,7]dec-1-ylthio)- [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: 518.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.6±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3377.77
ACD/KOC (pH 5.5): 11678.53
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3377.77
ACD/KOC (pH 7.4): 11678.53
Polar Surface Area: 46 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 279.4±5.0 cm3

Click to predict properties on the Chemicalize site


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