ChemSpider 2D Image | 1-Isothiocyanato-3-[(R)-methylsulfinyl]propane | C5H9NOS2

1-Isothiocyanato-3-[(R)-methylsulfinyl]propane

  • Molecular FormulaC5H9NOS2
  • Average mass163.261 Da
  • Monoisotopic mass163.012558 Da
  • ChemSpider ID32037757

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Isothiocyanato-3-[(R)-methylsulfinyl]propan [German] [ACD/IUPAC Name]
1-Isothiocyanato-3-[(R)-methylsulfinyl]propane [ACD/IUPAC Name]
1-Isothiocyanato-3-[(R)-méthylsulfinyl]propane [French] [ACD/IUPAC Name]
Propane, 1-isothiocyanato-3-[(R)-(1R)-methylsulfinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 362.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 173.0±23.2 °C
Index of Refraction: 1.577
Molar Refractivity: 44.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 74.88
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.92
ACD/KOC (pH 7.4): 74.88
Polar Surface Area: 81 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 134.4±7.0 cm3

Click to predict properties on the Chemicalize site


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