ChemSpider 2D Image | 5-{[(Heptadecafluorooctyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide | C10H3F17N4O4S3

5-{[(Heptadecafluorooctyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide

  • Molecular FormulaC10H3F17N4O4S3
  • Average mass662.323 Da
  • Monoisotopic mass661.904480 Da
  • ChemSpider ID8945971

More details:

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

1,3,4-Thiadiazole-2-sulfonamide, 5-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]- [ACD/Index Name]
5-{[(Heptadecafluoroctyl)sulfonyl]amino}-1,3,4-thiadiazol-2-sulfonamid [German] [ACD/IUPAC Name]
5-{[(Heptadecafluorooctyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide [ACD/IUPAC Name]
5-{[(Heptadécafluorooctyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide [French] [ACD/IUPAC Name]
5-(Heptadecafluorooctane-1-sulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide
CHEMBL140791

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

Density: 1.9±0.1 g/cm3
Boiling Point: 449.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.7±31.5 °C
Index of Refraction: 1.407
Molar Refractivity: 84.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 59.71
ACD/KOC (pH 5.5): 178.62
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 38.52
ACD/KOC (pH 7.4): 115.22
Polar Surface Area: 177 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

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