ChemSpider 2D Image | 4-[(2-Methoxyphenoxy)methyl]-1,3-dithiolane-2-thione | C11H12O2S3

4-[(2-Methoxyphenoxy)methyl]-1,3-dithiolane-2-thione

  • Molecular FormulaC11H12O2S3
  • Average mass272.407 Da
  • Monoisotopic mass271.999939 Da
  • ChemSpider ID78398526

More details:

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

1,3-Dithiolane-2-thione, 4-[(2-methoxyphenoxy)methyl]- [ACD/Index Name]
4-[(2-Methoxyphenoxy)methyl]-1,3-dithiolan-2-thion [German] [ACD/IUPAC Name]
4-[(2-Methoxyphenoxy)methyl]-1,3-dithiolane-2-thione [ACD/IUPAC Name]
4-[(2-Méthoxyphénoxy)méthyl]-1,3-dithiolane-2-thione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 448.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 225.2±20.4 °C
Index of Refraction: 1.669
Molar Refractivity: 74.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.04
ACD/KOC (pH 5.5): 899.69
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.04
ACD/KOC (pH 7.4): 899.69
Polar Surface Area: 101 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 199.5±5.0 cm3

Click to predict properties on the Chemicalize site


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