ChemSpider 2D Image | 2-[(3,4-Dichlorobenzyl)sulfanyl]-5-(1-ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole | C14H12Cl2N4OS

2-[(3,4-Dichlorobenzyl)sulfanyl]-5-(1-ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole

  • Molecular FormulaC14H12Cl2N4OS
  • Average mass355.242 Da
  • Monoisotopic mass354.010895 Da
  • ChemSpider ID21846582

More details:

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

1,3,4-Oxadiazole, 2-[[(3,4-dichlorophenyl)methyl]thio]-5-(1-ethyl-1H-pyrazol-4-yl)- [ACD/Index Name]
2-[(3,4-Dichlorbenzyl)sulfanyl]-5-(1-ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-[(3,4-Dichlorobenzyl)sulfanyl]-5-(1-ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole [ACD/IUPAC Name]
2-[(3,4-Dichlorobenzyl)sulfanyl]-5-(1-éthyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(1-ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 524.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 271.3±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 805.06
ACD/KOC (pH 5.5): 4184.02
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 805.06
ACD/KOC (pH 7.4): 4184.02
Polar Surface Area: 82 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 236.1±7.0 cm3

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