ChemSpider 2D Image | S,S'-[(1alpha,7alpha,8xi,13xi,17alpha)-17-Hydroxy-17-methyl-3-oxoandrost-4-ene-1,7-diyl] diethanethioate | C24H34O4S2

S,S'-[(1α,7α,8ξ,13ξ,17α)-17-Hydroxy-17-methyl-3-oxoandrost-4-ene-1,7-diyl] diethanethioate

  • Molecular FormulaC24H34O4S2
  • Average mass450.654 Da
  • Monoisotopic mass450.189850 Da
  • ChemSpider ID58816802

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

Diéthanethioate de S,S'-[(1α,7α,8ξ,13ξ,17α)-17-hydroxy-17-méthyl-3-oxoandrost-4-ène-1,7-diyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S,S'-[(1α,7α,8ξ,13ξ,17α)-17-hydroxy-17-methyl-3-oxoandrost-4-ene-1,7-diyl] ester [ACD/Index Name]
S,S'-[(1α,7α,8ξ,13ξ,17α)-17-Hydroxy-17-methyl-3-oxoandrost-4-en-1,7-diyl]-diethanthioat [German] [ACD/IUPAC Name]
S,S'-[(1α,7α,8ξ,13ξ,17α)-17-Hydroxy-17-methyl-3-oxoandrost-4-ene-1,7-diyl] diethanethioate [ACD/IUPAC Name]
2205-73-4 [RN]
tiomesterone [INN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 630.13
ACD/KOC (pH 5.5): 3511.03
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.13
ACD/KOC (pH 7.4): 3511.03
Polar Surface Area: 122 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 360.3±5.0 cm3

Click to predict properties on the Chemicalize site


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