ChemSpider 2D Image | 1-{[4-Ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetone | C12H17N5OS

1-{[4-Ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetone

  • Molecular FormulaC12H17N5OS
  • Average mass279.361 Da
  • Monoisotopic mass279.115387 Da
  • ChemSpider ID21850971

More details:

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

1-{[4-Ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}aceton [German] [ACD/IUPAC Name]
1-{[4-Ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetone [ACD/IUPAC Name]
1-{[4-Éthyl-5-(1-éthyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétone [French] [ACD/IUPAC Name]
2-Propanone, 1-[[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
1-[4-Ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propan-2-one
1-{[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propan-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.8±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.44
ACD/KOC (pH 5.5): 146.34
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.44
ACD/KOC (pH 7.4): 146.34
Polar Surface Area: 91 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 213.7±7.0 cm3

Click to predict properties on the Chemicalize site


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