ChemSpider 2D Image | 3-Methyl-1-phenyl-5-({[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-1H-pyrazole-4-carbonitrile | C17H18N6S2

3-Methyl-1-phenyl-5-({[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC17H18N6S2
  • Average mass370.495 Da
  • Monoisotopic mass370.103424 Da
  • ChemSpider ID24082832

More details:

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

1H-Pyrazole-4-carbonitrile, 3-methyl-1-phenyl-5-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]- [ACD/Index Name]
3-Methyl-1-phenyl-5-({[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Methyl-1-phenyl-5-({[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-Méthyl-1-phényl-5-({[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}méthyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 566.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.2±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 552.56
ACD/KOC (pH 5.5): 3195.68
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 552.71
ACD/KOC (pH 7.4): 3196.54
Polar Surface Area: 133 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 274.4±7.0 cm3

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