ChemSpider 2D Image | N-(2,5-Dichloropentyl)-2-{[1-(3-methylbenzyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}hydrazinecarbothioamide | C22H31Cl2N5OS

N-(2,5-Dichloropentyl)-2-{[1-(3-methylbenzyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}hydrazinecarbothioamide

  • Molecular FormulaC22H31Cl2N5OS
  • Average mass484.485 Da
  • Monoisotopic mass483.162628 Da
  • ChemSpider ID102453055

More details:

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

1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-, 2-[[(2,5-dichloropentyl)amino]thioxomethyl]hydrazide [ACD/Index Name]
N-(2,5-Dichloropentyl)-2-{[1-(3-methylbenzyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}hydrazinecarbothioamide [ACD/IUPAC Name]
N-(2,5-Dichloropentyl)-2-{[1-(3-méthylbenzyl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}hydrazinecarbothioamide [French] [ACD/IUPAC Name]
N-(2,5-Dichlorpentyl)-2-{[1-(3-methylbenzyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}hydrazincarbothioamid [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1562.12
ACD/KOC (pH 5.5): 6722.63
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1452.44
ACD/KOC (pH 7.4): 6250.60
Polar Surface Area: 103 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 385.6±7.0 cm3

Click to predict properties on the Chemicalize site


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