ChemSpider 2D Image | Ethyl 5-[(2,4-difluorophenyl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate | C11H8F2N2O2S2

Ethyl 5-[(2,4-difluorophenyl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate

  • Molecular FormulaC11H8F2N2O2S2
  • Average mass302.320 Da
  • Monoisotopic mass301.999512 Da
  • ChemSpider ID47457202

More details:

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

1,3,4-Thiadiazole-2-carboxylic acid, 5-[(2,4-difluorophenyl)thio]-, ethyl ester [ACD/Index Name]
5-[(2,4-Difluorophényl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(2,4-difluorophenyl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(2,4-difluorphenyl)sulfanyl]-1,3,4-thiadiazol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 397.2±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: 194.0±30.7 °C
Index of Refraction: 1.602
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.18
ACD/KOC (pH 5.5): 1275.80
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.18
ACD/KOC (pH 7.4): 1275.80
Polar Surface Area: 106 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 201.6±5.0 cm3

Click to predict properties on the Chemicalize site


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