ChemSpider 2D Image | 1-Isothiocyanato-2-(methylsulfinyl)propane | C5H9NOS2

1-Isothiocyanato-2-(methylsulfinyl)propane

  • Molecular FormulaC5H9NOS2
  • Average mass163.261 Da
  • Monoisotopic mass163.012558 Da
  • ChemSpider ID42192435

More details:

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

1-Isothiocyanato-2-(methylsulfinyl)propan [German] [ACD/IUPAC Name]
1-Isothiocyanato-2-(methylsulfinyl)propane [ACD/IUPAC Name]
1-Isothiocyanato-2-(méthylsulfinyl)propane [French] [ACD/IUPAC Name]
Propane, 1-isothiocyanato-2-(methylsulfinyl)- [ACD/Index Name]
1602947-29-4 [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: 343.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 161.5±23.2 °C
Index of Refraction: 1.579
Molar Refractivity: 44.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 82.18
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.32
ACD/KOC (pH 7.4): 82.18
Polar Surface Area: 81 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 133.6±7.0 cm3

Click to predict properties on the Chemicalize site


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