ChemSpider 2D Image | (3beta,16E)-3-Hydroxy-16-(2-thienylmethylene)androst-5-en-17-one | C24H30O2S

(3β,16E)-3-Hydroxy-16-(2-thienylmethylene)androst-5-en-17-one

  • Molecular FormulaC24H30O2S
  • Average mass382.559 Da
  • Monoisotopic mass382.196655 Da
  • ChemSpider ID59755306

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,16E)-3-Hydroxy-16-(2-thienylmethylen)androst-5-en-17-on [German] [ACD/IUPAC Name]
(3β,16E)-3-Hydroxy-16-(2-thienylmethylene)androst-5-en-17-one [ACD/IUPAC Name]
(3β,16E)-3-Hydroxy-16-(2-thiénylméthylène)androst-5-én-17-one [French] [ACD/IUPAC Name]
Androst-5-en-17-one, 3-hydroxy-16-(2-thienylmethylene)-, (3β,16E)- [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: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 110.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5758.92
ACD/KOC (pH 5.5): 17109.78
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5758.92
ACD/KOC (pH 7.4): 17109.78
Polar Surface Area: 66 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

Click to predict properties on the Chemicalize site


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