ChemSpider 2D Image | 2-ethyl-1,1,3-trioxo-2,3-dihydro-1??,2-benzothiazole-6-carboxylic acid | C10H9NO5S

2-ethyl-1,1,3-trioxo-2,3-dihydro-1??,2-benzothiazole-6-carboxylic acid

  • Molecular FormulaC10H9NO5S
  • Average mass255.247 Da
  • Monoisotopic mass255.020142 Da
  • ChemSpider ID24291906

More details:

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

1,2-Benzisothiazole-6-carboxylic acid, 2-ethyl-2,3-dihydro-3-oxo-, 1,1-dioxide [ACD/Index Name]
1040033-65-5 [RN]
2-ethyl-1,1,3-trioxo-2,3-dihydro-1??,2-benzothiazole-6-carboxylic acid
2-Ethyl-3-oxo-2,3-dihydro-1,2-benzothiazol-6-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
2-Ethyl-3-oxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
Acide 1,1-dioxyde de 2-éthyl-3-oxo-2,3-dihydro-1,2-benzothiazole-6-carboxylique [French] [ACD/IUPAC Name]
2-ethyl-1,1,3-trioxo-2,3-dihydro-1
2-Ethyl-1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid
2-ethyl-1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazole-6-carboxylic acid
2-ethyl-1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazole-6-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 512.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.8±30.7 °C
Index of Refraction: 1.627
Molar Refractivity: 57.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 162.8±3.0 cm3

Click to predict properties on the Chemicalize site


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