ChemSpider 2D Image | Ro 6-3129 | C23H32O2S

Ro 6-3129

  • Molecular FormulaC23H32O2S
  • Average mass372.564 Da
  • Monoisotopic mass372.212311 Da
  • ChemSpider ID59650717

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(9β,10α,16α)-16-(Ethylsulfanyl)pregna-4,6-dien-3,20-dion [German] [ACD/IUPAC Name]
(9β,10α,16α)-16-(Ethylsulfanyl)pregna-4,6-diene-3,20-dione [ACD/IUPAC Name]
(9β,10α,16α)-16-(Éthylsulfanyl)prégna-4,6-diène-3,20-dione [French] [ACD/IUPAC Name]
16α-ethylthio-9β,10α-pregna-4,6-diene-3,20-dione
16α-Ethylthiodydrogesterone
Pregna-4,6-diene-3,20-dione, 16-(ethylthio)-, (9β,10α,16α)- [ACD/Index Name]
Ro 6-3129 [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 216.3±20.2 °C
Index of Refraction: 1.571
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 994.96
ACD/KOC (pH 5.5): 4868.89
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 994.96
ACD/KOC (pH 7.4): 4868.89
Polar Surface Area: 59 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 329.1±5.0 cm3

Click to predict properties on the Chemicalize site


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