ChemSpider 2D Image | 6-Amino-5-hydroxy-1,3-benzoxathiol-2-one | C7H5NO3S

6-Amino-5-hydroxy-1,3-benzoxathiol-2-one

  • Molecular FormulaC7H5NO3S
  • Average mass183.184 Da
  • Monoisotopic mass182.999008 Da
  • ChemSpider ID65131630

More details:

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

1,3-Benzoxathiol-2-one, 6-amino-5-hydroxy- [ACD/Index Name]
6-Amino-5-hydroxy-1,3-benzoxathiol-2-on [German] [ACD/IUPAC Name]
6-Amino-5-hydroxy-1,3-benzoxathiol-2-one [ACD/IUPAC Name]
6-Amino-5-hydroxy-1,3-benzoxathiol-2-one [French] [ACD/IUPAC Name]
1822981-28-1 [RN]
6-amino-5-hydroxy-2H-1,3-benzoxathiol-2-one
MFCD22482992

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

Density: 1.7±0.1 g/cm3
Boiling Point: 430.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 214.2±31.5 °C
Index of Refraction: 1.795
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 76.64
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 68.50
Polar Surface Area: 98 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 97.0±3.0 dyne/cm
Molar Volume: 106.3±3.0 cm3

Click to predict properties on the Chemicalize site


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