ChemSpider 2D Image | Ethyl 3-imino-5-sulfanyl-3H-1,2-dithiole-4-carboxylate | C6H7NO2S3

Ethyl 3-imino-5-sulfanyl-3H-1,2-dithiole-4-carboxylate

  • Molecular FormulaC6H7NO2S3
  • Average mass221.320 Da
  • Monoisotopic mass220.963882 Da
  • ChemSpider ID25022692

More details:

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

3H-1,2-Dithiole-4-carboxylic acid, 3-imino-5-mercapto-, ethyl ester [ACD/Index Name]
3-Imino-5-sulfanyl-3H-1,2-dithiole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-imino-5-sulfanyl-3H-1,2-dithiole-4-carboxylate [ACD/IUPAC Name]
Ethyl-3-imino-5-sulfanyl-3H-1,2-dithiol-4-carboxylat [German] [ACD/IUPAC 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: 310.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 141.4±30.7 °C
Index of Refraction: 1.721
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 43.33
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 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


Advertisement