ChemSpider 2D Image | 5,6,7-trideuterio-4-(trideuteriomethyl)-1,3-benzothiazole | C8HD6NS

5,6,7-trideuterio-4-(trideuteriomethyl)-1,3-benzothiazole

  • Molecular FormulaC8HD6NS
  • Average mass155.250 Da
  • Monoisotopic mass155.067581 Da
  • ChemSpider ID8900923

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(2H3)Methyl(5,6,7-2H3)-1,3-benzothiazol [German] [ACD/IUPAC Name]
4-(2H3)Méthyl(5,6,7-2H3)-1,3-benzothiazole [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 247.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 108.1±7.6 °C
Index of Refraction: 1.663
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.99
ACD/KOC (pH 5.5): 530.75
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.99
ACD/KOC (pH 7.4): 530.79
Polar Surface Area: 41 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 122.5±3.0 cm3

Click to predict properties on the Chemicalize site


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