ChemSpider 2D Image | (13xi)-4-(Phenylsulfanyl)androsta-1,4-diene-3,17-dione | C25H28O2S

(13ξ)-4-(Phenylsulfanyl)androsta-1,4-diene-3,17-dione

  • Molecular FormulaC25H28O2S
  • Average mass392.554 Da
  • Monoisotopic mass392.181000 Da
  • ChemSpider ID58816176

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(13ξ)-4-(Phenylsulfanyl)androsta-1,4-dien-3,17-dion [German] [ACD/IUPAC Name]
(13ξ)-4-(Phenylsulfanyl)androsta-1,4-diene-3,17-dione [ACD/IUPAC Name]
(13ξ)-4-(Phénylsulfanyl)androsta-1,4-diène-3,17-dione [French] [ACD/IUPAC Name]
Androsta-1,4-diene-3,17-dione, 4-(phenylthio)-, (13ξ)- [ACD/Index Name]
164080-14-2 [RN]
Androsta-1,4-diene-3,17-dione, 4-(phenylthio)- [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: 562.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 233.8±20.2 °C
Index of Refraction: 1.627
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1571.30
ACD/KOC (pH 5.5): 6752.75
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1571.30
ACD/KOC (pH 7.4): 6752.75
Polar Surface Area: 59 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 321.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement