ChemSpider 2D Image | 5-Cyclohexyl-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole | C15H15N3OS

5-Cyclohexyl-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole

  • Molecular FormulaC15H15N3OS
  • Average mass285.364 Da
  • Monoisotopic mass285.093567 Da
  • ChemSpider ID23119769

More details:

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

1,2,4-Oxadiazole, 5-cyclohexyl-3-(4-isothiocyanatophenyl)- [ACD/Index Name]
5-Cyclohexyl-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-Cyclohexyl-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
5-Cyclohexyl-3-(4-isothiocyanatophényl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
5-Cyclohexyl-3-(4-isothiocyanato-phenyl)-[1,2,4]oxadiazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 230.5±29.3 °C
Index of Refraction: 1.675
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2051.05
ACD/KOC (pH 5.5): 8171.64
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2051.05
ACD/KOC (pH 7.4): 8171.64
Polar Surface Area: 83 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 217.9±7.0 cm3

Click to predict properties on the Chemicalize site


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