ChemSpider 2D Image | 2-(3-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole | C16H13N3S

2-(3-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole

  • Molecular FormulaC16H13N3S
  • Average mass279.359 Da
  • Monoisotopic mass279.083008 Da
  • ChemSpider ID30657592

More details:

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

2-(3-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-(3-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole [ACD/IUPAC Name]
2-(3-Phényl-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)- [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: 442.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.2±24.0 °C
Index of Refraction: 1.728
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.04
ACD/KOC (pH 5.5): 1993.57
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.67
ACD/KOC (pH 7.4): 1998.03
Polar Surface Area: 57 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 210.9±7.0 cm3

Click to predict properties on the Chemicalize site


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