ChemSpider 2D Image | 2,2'-(1,3,4-Thiadiazolidine-2,5-diyldisulfanediyl)bis[1-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone] | C26H30N6O4S3

2,2'-(1,3,4-Thiadiazolidine-2,5-diyldisulfanediyl)bis[1-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone]

  • Molecular FormulaC26H30N6O4S3
  • Average mass586.749 Da
  • Monoisotopic mass586.149048 Da
  • ChemSpider ID110138433

More details:

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

2,2'-(1,3,4-Thiadiazolidin-2,5-diyldisulfandiyl)bis[1-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanon] [German] [ACD/IUPAC Name]
2,2'-(1,3,4-Thiadiazolidine-2,5-diyldisulfanediyl)bis[1-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone] [ACD/IUPAC Name]
2,2'-(1,3,4-Thiadiazolidine-2,5-diyldisulfanediyl)bis[1-(5-hydroxy-3-méthyl-5-phényl-4,5-dihydro-1H-pyrazol-1-yl)éthanone] [French] [ACD/IUPAC Name]
Ethanone, 2,2'-[1,3,4-thiadiazolidine-2,5-diylbis(thio)]bis[1-(4,5-dihydro-5-hydroxy-3-methyl-5-phenyl-1H-pyrazol-1-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 807.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.2±37.1 °C
Index of Refraction: 1.740
Molar Refractivity: 157.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 48.60
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 50.05
Polar Surface Area: 206 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 389.9±7.0 cm3

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