ChemSpider 2D Image | 4-Isothiocyanatotetrahydro-2H-pyran | C6H9NOS

4-Isothiocyanatotetrahydro-2H-pyran

  • Molecular FormulaC6H9NOS
  • Average mass143.207 Da
  • Monoisotopic mass143.040482 Da
  • ChemSpider ID26053491

More details:

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

2H-Pyran, tetrahydro-4-isothiocyanato- [ACD/Index Name]
4-Isothiocyanatotetrahydro-2H-pyran [ACD/IUPAC Name]
4-Isothiocyanatotetrahydro-2H-pyran [German] [ACD/IUPAC Name]
4-Isothiocyanatotétrahydro-2H-pyrane [French] [ACD/IUPAC Name]
1153383-87-9 [RN]
4-isothiocyanatooxane
MFCD12088779 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 247.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 103.4±24.3 °C
Index of Refraction: 1.569
Molar Refractivity: 39.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.47
ACD/KOC (pH 5.5): 235.66
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.47
ACD/KOC (pH 7.4): 235.66
Polar Surface Area: 54 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 120.2±7.0 cm3

Click to predict properties on the Chemicalize site


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