ChemSpider 2D Image | (10beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline | C19H26N2S

(10β)-8-[(Methylsulfanyl)methyl]-6-propylergoline

  • Molecular FormulaC19H26N2S
  • Average mass314.488 Da
  • Monoisotopic mass314.181671 Da
  • ChemSpider ID26374839

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(10β)-8-[(Methylsulfanyl)methyl]-6-propylergolin [German] [ACD/IUPAC Name]
(10β)-8-[(Methylsulfanyl)methyl]-6-propylergoline [ACD/IUPAC Name]
(10β)-8-[(Méthylsulfanyl)méthyl]-6-propylergoline [French] [ACD/IUPAC Name]
Ergoline, 8-[(methylthio)methyl]-6-propyl-, (10β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 491.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.9±25.9 °C
Index of Refraction: 1.614
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 10.11
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 75.40
ACD/KOC (pH 7.4): 306.36
Polar Surface Area: 44 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 279.6±3.0 cm3

Click to predict properties on the Chemicalize site


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