ChemSpider 2D Image | 3-[Ethoxy(methylsulfanyl)methyl]-2-pyrrolidinethione | C8H15NOS2

3-[Ethoxy(methylsulfanyl)methyl]-2-pyrrolidinethione

  • Molecular FormulaC8H15NOS2
  • Average mass205.341 Da
  • Monoisotopic mass205.059509 Da
  • ChemSpider ID84455266

More details:

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

2-Pyrrolidinethione, 3-[ethoxy(methylthio)methyl]- [ACD/Index Name]
3-[Ethoxy(methylsulfanyl)methyl]-2-pyrrolidinethione [ACD/IUPAC Name]
3-[Éthoxy(méthylsulfanyl)méthyl]-2-pyrrolidinethione [French] [ACD/IUPAC Name]
3-[Ethoxy(methylsulfanyl)methyl]-2-pyrrolidinthion [German] [ACD/IUPAC Name]
3-[(Methylthio)ethoxymethyl]pyrrolidine-2-thione
3-[ethoxy(methylsulfanyl)methyl]pyrrolidine-2-thione
Compound NP-023885

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

Density: 1.2±0.1 g/cm3
Boiling Point: 280.3±46.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 123.3±29.0 °C
Index of Refraction: 1.563
Molar Refractivity: 57.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 97.18
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.20
ACD/KOC (pH 7.4): 97.18
Polar Surface Area: 79 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 177.0±5.0 cm3

Click to predict properties on the Chemicalize site


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