ChemSpider 2D Image | MFCD18428254 | C23H35NO2S

MFCD18428254

  • Molecular FormulaC23H35NO2S
  • Average mass389.595 Da
  • Monoisotopic mass389.238861 Da
  • ChemSpider ID71083110

More details:

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

1,2-Benzisothiazol-3(2H)-one, 2-(1-oxohexadecyl)- [ACD/Index Name]
2-palmitoyl-1,2-benzisothiazol-3(2H)-one
2-Palmitoyl-1,2-benzothiazol-3(2H)-on [German] [ACD/IUPAC Name]
2-Palmitoyl-1,2-benzothiazol-3(2H)-one [ACD/IUPAC Name]
2-Palmitoyl-1,2-benzothiazol-3(2H)-one [French] [ACD/IUPAC Name]
MFCD18428254

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

Density: 1.1±0.1 g/cm3
Boiling Point: 511.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±25.4 °C
Index of Refraction: 1.538
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1211755.63
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1211755.63
Polar Surface Area: 63 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 367.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement