ChemSpider 2D Image | 3-(Benzylsulfanyl)-2-butyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one | C19H25NOS

3-(Benzylsulfanyl)-2-butyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

  • Molecular FormulaC19H25NOS
  • Average mass315.473 Da
  • Monoisotopic mass315.165680 Da
  • ChemSpider ID21819169

More details:

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

1H-Isoindol-1-one, 2-butyl-2,3,4,5,6,7-hexahydro-3-[(phenylmethyl)thio]- [ACD/Index Name]
3-(Benzylsulfanyl)-2-butyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-on [German] [ACD/IUPAC Name]
3-(Benzylsulfanyl)-2-butyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one [ACD/IUPAC Name]
3-(Benzylsulfanyl)-2-butyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one [French] [ACD/IUPAC Name]
3-Benzylsulfanyl-2-butyl-2,3,4,5,6,7-hexahydro-isoindol-1-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 509.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.0±29.8 °C
Index of Refraction: 1.598
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1434.57
ACD/KOC (pH 5.5): 6326.73
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1434.57
ACD/KOC (pH 7.4): 6326.73
Polar Surface Area: 46 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

Click to predict properties on the Chemicalize site


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