ChemSpider 2D Image | 2,2'-(5-Methyl-1,3-phenylene)bis(1,3-benzothiazole) | C21H14N2S2

2,2'-(5-Methyl-1,3-phenylene)bis(1,3-benzothiazole)

  • Molecular FormulaC21H14N2S2
  • Average mass358.479 Da
  • Monoisotopic mass358.059845 Da
  • ChemSpider ID30659813

More details:

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

2,2'-(5-Methyl-1,3-phenylen)bis(1,3-benzothiazol) [German] [ACD/IUPAC Name]
2,2'-(5-Methyl-1,3-phenylene)bis(1,3-benzothiazole) [ACD/IUPAC Name]
2,2'-(5-Méthyl-1,3-phénylène)bis(1,3-benzothiazole) [French] [ACD/IUPAC Name]
Benzothiazole, 2,2'-(5-methyl-1,3-phenylene)bis- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 284.9±23.3 °C
Index of Refraction: 1.740
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11807.47
ACD/KOC (pH 5.5): 28604.65
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11807.64
ACD/KOC (pH 7.4): 28605.06
Polar Surface Area: 82 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 269.9±3.0 cm3

Click to predict properties on the Chemicalize site


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