ChemSpider 2D Image | 2-({[4-(4-Methylphenyl)-5-(1-pyrrolidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pentanedinitrile | C19H22N6S

2-({[4-(4-Methylphenyl)-5-(1-pyrrolidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pentanedinitrile

  • Molecular FormulaC19H22N6S
  • Average mass366.483 Da
  • Monoisotopic mass366.162659 Da
  • ChemSpider ID21708367

More details:

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

2-({[4-(4-Methylphenyl)-5-(1-pyrrolidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pentandinitril [German] [ACD/IUPAC Name]
2-({[4-(4-Methylphenyl)-5-(1-pyrrolidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pentanedinitrile [ACD/IUPAC Name]
2-({[4-(4-Méthylphényl)-5-(1-pyrrolidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)pentanedinitrile [French] [ACD/IUPAC Name]
Pentanedinitrile, 2-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-4H-1,2,4-triazol-3-yl]thio]methyl]- [ACD/Index 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: 646.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 344.9±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.80
ACD/KOC (pH 5.5): 769.58
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.30
ACD/KOC (pH 7.4): 774.69
Polar Surface Area: 107 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 291.0±7.0 cm3

Click to predict properties on the Chemicalize site


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