Found 822 results

Search term: MF = 'C_{13}H_{13}FN_{4}S'
ChemSpider 2D Image | 3-Butyl-6-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C13H13FN4S

3-Butyl-6-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC13H13FN4S
  • Average mass276.332 Da
  • Monoisotopic mass276.084503 Da
  • ChemSpider ID21634268

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-butyl-6-(3-fluorophenyl)- [ACD/Index Name]
3-Butyl-6-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-Butyl-6-(3-fluorophényl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
3-Butyl-6-(3-fluorphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-butyl-6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 75.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 307.33
ACD/KOC (pH 5.5): 2100.08
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.33
ACD/KOC (pH 7.4): 2100.09
Polar Surface Area: 71 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 197.9±7.0 cm3

Click to predict properties on the Chemicalize site


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