ChemSpider 2D Image | 4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3,5-difluorobenzoic acid | C11H8F2N2O2S2

4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3,5-difluorobenzoic acid

  • Molecular FormulaC11H8F2N2O2S2
  • Average mass302.320 Da
  • Monoisotopic mass301.999512 Da
  • ChemSpider ID47437782

More details:

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

4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3,5-difluorbenzoesäure [German] [ACD/IUPAC Name]
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3,5-difluorobenzoic acid [ACD/IUPAC Name]
Acide 4-[(3-éthyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3,5-difluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)thio]-3,5-difluoro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 447.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 224.1±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 69.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 11.25
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 117 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 192.4±5.0 cm3

Click to predict properties on the Chemicalize site


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