ChemSpider 2D Image | 1,3-Benzoxathiol-5-ol 3,3-dioxide | C7H6O4S

1,3-Benzoxathiol-5-ol 3,3-dioxide

  • Molecular FormulaC7H6O4S
  • Average mass186.185 Da
  • Monoisotopic mass185.998672 Da
  • ChemSpider ID28718717

More details:

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

1,3-Benzoxathiol-5-ol 3,3-dioxide [ACD/IUPAC Name]
1,3-Benzoxathiol-5-ol, 3,3-dioxide [ACD/Index Name]
1,3-Benzoxathiol-5-ol-3,3-dioxid [German] [ACD/IUPAC Name]
3,3-Dioxyde de -1,3-benzoxathiol-5-ol [French] [ACD/IUPAC Name]
106129-30-0 [RN]
5-Hydroxy-1,3λ6-benzoxathiole-3,3(2H)-dione
MFCD24714782

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

Density: 1.6±0.1 g/cm3
Boiling Point: 491.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 251.0±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 41.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.30
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.74
Polar Surface Area: 72 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 114.6±3.0 cm3

Click to predict properties on the Chemicalize site


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