ChemSpider 2D Image | 1,2-Thiazol-3-yl hydroperoxide | C3H3NO2S

1,2-Thiazol-3-yl hydroperoxide

  • Molecular FormulaC3H3NO2S
  • Average mass117.126 Da
  • Monoisotopic mass116.988449 Da
  • ChemSpider ID67163634

More details:

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

1,2-Thiazol-3-yl hydroperoxide [ACD/IUPAC Name]
1,2-Thiazol-3-ylhydroperoxid [German] [ACD/IUPAC Name]
Hydroperoxide, 3-isothiazolyl [ACD/Index Name]
Hydroperoxyde de 1,2-thiazol-3-yle [French] [ACD/IUPAC Name]
3-hydroperoxy-isothiazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 134.2±36.0 °C at 760 mmHg
Vapour Pressure: 6.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.3±3.0 kJ/mol
Flash Point: 35.0±26.2 °C
Index of Refraction: 1.598
Molar Refractivity: 26.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 53.12
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.47
Polar Surface Area: 71 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 77.1±3.0 cm3

Click to predict properties on the Chemicalize site


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