ChemSpider 2D Image | 3-(Isothiocyanatoacetyl)-4,4-dimethyl-1,3-oxazolidin-2-one | C8H10N2O3S

3-(Isothiocyanatoacetyl)-4,4-dimethyl-1,3-oxazolidin-2-one

  • Molecular FormulaC8H10N2O3S
  • Average mass214.242 Da
  • Monoisotopic mass214.041214 Da
  • ChemSpider ID28417332

More details:

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

2-Oxazolidinone, 3-(2-isothiocyanatoacetyl)-4,4-dimethyl- [ACD/Index Name]
3-(2-Isothiocyanatoacétyl)-4,4-diméthyl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
3-(Isothiocyanatoacetyl)-4,4-dimethyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
3-(Isothiocyanatoacetyl)-4,4-dimethyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 368.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 176.9±23.2 °C
Index of Refraction: 1.588
Molar Refractivity: 54.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.43
ACD/KOC (pH 5.5): 116.92
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.43
ACD/KOC (pH 7.4): 116.92
Polar Surface Area: 91 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 161.7±7.0 cm3

Click to predict properties on the Chemicalize site


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