ChemSpider 2D Image | 4-Ethyl-3-(methylsulfanyl)-5-(2-pyrrolidinyl)-4H-1,2,4-triazole | C9H16N4S

4-Ethyl-3-(methylsulfanyl)-5-(2-pyrrolidinyl)-4H-1,2,4-triazole

  • Molecular FormulaC9H16N4S
  • Average mass212.315 Da
  • Monoisotopic mass212.109573 Da
  • ChemSpider ID17908831

More details:






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

4-Ethyl-3-(methylsulfanyl)-5-(2-pyrrolidinyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4-Ethyl-3-(methylsulfanyl)-5-(2-pyrrolidinyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
4-Éthyl-3-(méthylsulfanyl)-5-(2-pyrrolidinyl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 4-ethyl-3-(methylthio)-5-(2-pyrrolidinyl)- [ACD/Index Name]
4-Ethyl-3-methylsulfanyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole
942358-47-6 [RN]
MFCD08899217

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 397.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.2±30.7 °C
Index of Refraction: 1.676
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.84
Polar Surface Area: 68 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 158.1±7.0 cm3

Click to predict properties on the Chemicalize site






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