ChemSpider 2D Image | Methyl (2Z)-2-[(3Z,5alpha,17beta)-17-hydroxyandrost-1-en-3-ylidene]hydrazinecarbodithioate | C21H32N2OS2

Methyl (2Z)-2-[(3Z,5α,17β)-17-hydroxyandrost-1-en-3-ylidene]hydrazinecarbodithioate

  • Molecular FormulaC21H32N2OS2
  • Average mass392.622 Da
  • Monoisotopic mass392.195618 Da
  • ChemSpider ID30655214

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2Z)-2-[(3Z,5α,17β)-17-Hydroxyandrost-1-én-3-ylidène]hydrazinecarbodithioate de méthyle [French] [ACD/IUPAC Name]
Hydrazinecarbodithioic acid, 2-[(3Z,5α,17β)-17-hydroxyandrost-1-en-3-ylidene]-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-2-[(3Z,5α,17β)-17-hydroxyandrost-1-en-3-ylidene]hydrazinecarbodithioate [ACD/IUPAC Name]
Methyl-(2Z)-2-[(3Z,5α,17β)-17-hydroxyandrost-1-en-3-yliden]hydrazincarbodithioat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 265.9±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2081.29
ACD/KOC (pH 5.5): 8257.09
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2074.70
ACD/KOC (pH 7.4): 8230.95
Polar Surface Area: 102 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 294.5±7.0 cm3

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