ChemSpider 2D Image | 3-{[2-(Methylsulfanyl)ethyl]sulfanyl}-1-propanol | C6H14OS2

3-{[2-(Methylsulfanyl)ethyl]sulfanyl}-1-propanol

  • Molecular FormulaC6H14OS2
  • Average mass166.305 Da
  • Monoisotopic mass166.048599 Da
  • ChemSpider ID42490071

More details:

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

1-Propanol, 3-[[2-(methylthio)ethyl]thio]- [ACD/Index Name]
3-{[2-(Methylsulfanyl)ethyl]sulfanyl}-1-propanol [German] [ACD/IUPAC Name]
3-{[2-(Methylsulfanyl)ethyl]sulfanyl}-1-propanol [ACD/IUPAC Name]
3-{[2-(Méthylsulfanyl)éthyl]sulfanyl}-1-propanol [French] [ACD/IUPAC Name]
1593029-87-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 271.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.2±6.0 kJ/mol
Flash Point: 132.6±19.1 °C
Index of Refraction: 1.531
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.79
ACD/KOC (pH 5.5): 227.73
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.79
ACD/KOC (pH 7.4): 227.73
Polar Surface Area: 71 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 153.0±3.0 cm3

Click to predict properties on the Chemicalize site


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