ChemSpider 2D Image | 3H-2,1-Benzoxathiol-3-imine 1,1-dioxide | C7H5NO3S

3H-2,1-Benzoxathiol-3-imine 1,1-dioxide

  • Molecular FormulaC7H5NO3S
  • Average mass183.184 Da
  • Monoisotopic mass182.999008 Da
  • ChemSpider ID30658410

More details:






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

1,1-Dioxyde de -3H-2,1-benzoxathiol-3-imine [French] [ACD/IUPAC Name]
3H-2,1-Benzoxathiol-3-imin-1,1-dioxid [German] [ACD/IUPAC Name]
3H-2,1-Benzoxathiol-3-imine 1,1-dioxide [ACD/IUPAC Name]
3H-2,1-Benzoxathiol-3-imine, 1,1-dioxide [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 321.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.1±3.0 kJ/mol
Flash Point: 148.2±23.2 °C
Index of Refraction: 1.691
Molar Refractivity: 42.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 78.88
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 78.88
Polar Surface Area: 76 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 111.7±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement