ChemSpider 2D Image | 1-[1-(1-Methoxy-2-propanyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone | C14H20N4O2S

1-[1-(1-Methoxy-2-propanyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone

  • Molecular FormulaC14H20N4O2S
  • Average mass308.399 Da
  • Monoisotopic mass308.130707 Da
  • ChemSpider ID70278196

More details:

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

1-[1-(1-Methoxy-2-propanyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanon [German] [ACD/IUPAC Name]
1-[1-(1-Methoxy-2-propanyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone [ACD/IUPAC Name]
1-[1-(1-Méthoxy-2-propanyl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-(2-methoxy-1-methylethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4H-1,2,4-triazol-3-ylthio)- [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: 515.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.6±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.65
ACD/KOC (pH 5.5): 303.94
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.48
ACD/KOC (pH 7.4): 286.61
Polar Surface Area: 98 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 240.7±7.0 cm3

Click to predict properties on the Chemicalize site


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