ChemSpider 2D Image | 6-(Methylsulfinyl)hexyl thiocyanate | C8H15NOS2

6-(Methylsulfinyl)hexyl thiocyanate

  • Molecular FormulaC8H15NOS2
  • Average mass205.341 Da
  • Monoisotopic mass205.059509 Da
  • ChemSpider ID24641745

More details:

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

6-(Methylsulfinyl)hexyl thiocyanate [ACD/IUPAC Name]
6-(Methylsulfinyl)hexylthiocyanat [German] [ACD/IUPAC Name]
Thiocyanate de 6-(méthylsulfinyl)hexyle [French] [ACD/IUPAC Name]
Thiocyanic acid, 6-(methylsulfinyl)hexyl ester [ACD/Index Name]
1206179-54-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 195.8±24.0 °C
Index of Refraction: 1.542
Molar Refractivity: 55.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.77
ACD/KOC (pH 5.5): 122.05
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.77
ACD/KOC (pH 7.4): 122.05
Polar Surface Area: 85 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 177.4±3.0 cm3

Click to predict properties on the Chemicalize site


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