ChemSpider 2D Image | 3-[(2,5-Dimethylbenzyl)sulfanyl]-6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazine | C23H20FN3S2

3-[(2,5-Dimethylbenzyl)sulfanyl]-6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazine

  • Molecular FormulaC23H20FN3S2
  • Average mass421.553 Da
  • Monoisotopic mass421.108276 Da
  • ChemSpider ID22219605

More details:

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

3-[(2,5-Dimethylbenzyl)sulfanyl]-6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazine [ACD/IUPAC Name]
3-[(2,5-Diméthylbenzyl)sulfanyl]-6-[2-(4-fluorophényl)-4-méthyl-1,3-thiazol-5-yl]pyridazine [French] [ACD/IUPAC Name]
3-[(2,5-Dimethylbenzyl)sulfanyl]-6-[2-(4-fluorphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin [German] [ACD/IUPAC Name]
Pyridazine, 3-[[(2,5-dimethylphenyl)methyl]thio]-6-[2-(4-fluorophenyl)-4-methyl-5-thiazolyl]- [ACD/Index Name]
3-[(2,5-dimethylbenzyl)thio]-6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazine
5-(6-((2,5-dimethylbenzyl)thio)pyridazin-3-yl)-2-(4-fluorophenyl)-4-methylthiazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 327.6±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17424.31
ACD/KOC (pH 5.5): 37792.28
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17424.73
ACD/KOC (pH 7.4): 37793.19
Polar Surface Area: 92 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

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