ChemSpider 2D Image | 2,6-Dimethyl-8-[(2-pyridinylsulfanyl)methyl]-9,10-didehydroergoline | C22H23N3S

2,6-Dimethyl-8-[(2-pyridinylsulfanyl)methyl]-9,10-didehydroergoline

  • Molecular FormulaC22H23N3S
  • Average mass361.503 Da
  • Monoisotopic mass361.161255 Da
  • ChemSpider ID58818356

More details:

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

2,6-Dimethyl-8-[(2-pyridinylsulfanyl)methyl]-9,10-didehydroergolin [German] [ACD/IUPAC Name]
2,6-Dimethyl-8-[(2-pyridinylsulfanyl)methyl]-9,10-didehydroergoline [ACD/IUPAC Name]
2,6-Diméthyl-8-[(2-pyridinylsulfanyl)méthyl]-9,10-didéhydroergoline [French] [ACD/IUPAC Name]
Ergoline, 9,10-didehydro-2,6-dimethyl-8-[(2-pyridinylthio)methyl]- [ACD/Index Name]
90408-58-5 [RN]
CK 204-933

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.5±28.7 °C
Index of Refraction: 1.716
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 17.99
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 203.48
ACD/KOC (pH 7.4): 890.55
Polar Surface Area: 57 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 279.4±5.0 cm3

Click to predict properties on the Chemicalize site


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