ChemSpider 2D Image | 4-(1,3-Benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C18H15N3OS

4-(1,3-Benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC18H15N3OS
  • Average mass321.396 Da
  • Monoisotopic mass321.093567 Da
  • ChemSpider ID30657045

More details:

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

3H-Pyrazol-3-one, 4-(2-benzothiazolyl)-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-(1,3-Benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-yl)-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC 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: 463.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.3±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.43
ACD/KOC (pH 5.5): 916.02
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.43
ACD/KOC (pH 7.4): 916.04
Polar Surface Area: 65 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 241.8±3.0 cm3

Click to predict properties on the Chemicalize site


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