ChemSpider 2D Image | (4Z)-4-[Ethoxy(hydroxy)methylene]-5-imino-1,2-dithiolane-3-thione | C6H7NO2S3

(4Z)-4-[Ethoxy(hydroxy)methylene]-5-imino-1,2-dithiolane-3-thione

  • Molecular FormulaC6H7NO2S3
  • Average mass221.320 Da
  • Monoisotopic mass220.963882 Da
  • ChemSpider ID95575938

More details:

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

(4Z)-4-[Ethoxy(hydroxy)methylen]-5-imino-1,2-dithiolan-3-thion [German] [ACD/IUPAC Name]
(4Z)-4-[Ethoxy(hydroxy)methylene]-5-imino-1,2-dithiolane-3-thione [ACD/IUPAC Name]
(4Z)-4-[Éthoxy(hydroxy)méthylène]-5-imino-1,2-dithiolane-3-thione [French] [ACD/IUPAC Name]
1,2-Dithiolane-3-thione, 4-(ethoxyhydroxymethylene)-5-imino-, (4Z)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 281.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.4±6.0 kJ/mol
Flash Point: 123.9±30.1 °C
Index of Refraction: 1.721
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 51.51
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 136 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 138.0±7.0 cm3

Click to predict properties on the Chemicalize site


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