ChemSpider 2D Image | 3-Furoyl isothiocyanate | C6H3NO2S

3-Furoyl isothiocyanate

  • Molecular FormulaC6H3NO2S
  • Average mass153.158 Da
  • Monoisotopic mass152.988449 Da
  • ChemSpider ID24190892

More details:

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

3-Furancarbonyl isothiocyanate [ACD/Index Name]
3-Furoyl isothiocyanate [ACD/IUPAC Name]
3-Furoylisothiocyanat [German] [ACD/IUPAC Name]
Isothiocyanate de 3-furoyle [French] [ACD/IUPAC Name]
115156-71-3 [RN]
3-Furancarbonyl isothiocyanate (9CI)
3-Furancarbonylisothiocyanate
3-Furancarbonylisothiocyanate(9CI)
furan-3-carbonyl isothiocyanate
MFCD12188995

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

Density: 1.3±0.1 g/cm3
Boiling Point: 225.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.2±3.0 kJ/mol
Flash Point: 90.0±19.8 °C
Index of Refraction: 1.601
Molar Refractivity: 40.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.61
ACD/KOC (pH 5.5): 364.45
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.61
ACD/KOC (pH 7.4): 364.45
Polar Surface Area: 75 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 117.6±7.0 cm3

Click to predict properties on the Chemicalize site


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