ChemSpider 2D Image | N-Isopropyl-2-{[(5-{[(4-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinecarbothioamide | C22H27N7OS2

N-Isopropyl-2-{[(5-{[(4-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinecarbothioamide

  • Molecular FormulaC22H27N7OS2
  • Average mass469.626 Da
  • Monoisotopic mass469.171844 Da
  • ChemSpider ID82739549

More details:

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

Acetic acid, 2-[[5-[[(4-methylphenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[[(1-methylethyl)amino]thioxomethyl]hydrazide [ACD/Index Name]
N-Isopropyl-2-{[(5-{[(4-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-Isopropyl-2-{[(5-{[(4-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinecarbothioamide [ACD/IUPAC Name]
N-Isopropyl-2-{2-[(5-{[(4-méthylphényl)amino]méthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazinecarbothioamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.35
ACD/KOC (pH 5.5): 864.64
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 66.01
ACD/KOC (pH 7.4): 638.79
Polar Surface Area: 153 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 357.8±7.0 cm3

Click to predict properties on the Chemicalize site


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