ChemSpider 2D Image | 1,3-benzothiazin-4-one | C8H5NOS

1,3-benzothiazin-4-one

  • Molecular FormulaC8H5NOS
  • Average mass163.196 Da
  • Monoisotopic mass163.009186 Da
  • ChemSpider ID14339264

More details:






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

1,3-benzothiazin-4-one
4H-1,3-Benzothiazin-4-on [German] [ACD/IUPAC Name]
4H-1,3-Benzothiazin-4-one [ACD/Index Name] [ACD/IUPAC Name]
4H-1,3-Benzothiazin-4-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 338.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 158.4±23.2 °C
Index of Refraction: 1.688
Molar Refractivity: 46.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.93
ACD/KOC (pH 5.5): 229.27
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.93
ACD/KOC (pH 7.4): 229.27
Polar Surface Area: 55 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 120.7±7.0 cm3

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