ChemSpider 2D Image | 2-({[5-(Trifluoromethyl)-2-pyridinyl]sulfonyl}methyl)-1,3-benzothiazole | C14H9F3N2O2S2

2-({[5-(Trifluoromethyl)-2-pyridinyl]sulfonyl}methyl)-1,3-benzothiazole

  • Molecular FormulaC14H9F3N2O2S2
  • Average mass358.359 Da
  • Monoisotopic mass358.005737 Da
  • ChemSpider ID70794977

More details:

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

2-({[5-(Trifluormethyl)-2-pyridinyl]sulfonyl}methyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-({[5-(Trifluoromethyl)-2-pyridinyl]sulfonyl}methyl)-1,3-benzothiazole [ACD/IUPAC Name]
2-({[5-(Trifluorométhyl)-2-pyridinyl]sulfonyl}méthyl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 513.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 264.2±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.01
ACD/KOC (pH 5.5): 1184.01
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.01
ACD/KOC (pH 7.4): 1184.01
Polar Surface Area: 97 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 235.5±3.0 cm3

Click to predict properties on the Chemicalize site


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