ChemSpider 2D Image | 3-Propyl-6-[1-(1H-pyrazol-1-yl)propyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C12H16N6S

3-Propyl-6-[1-(1H-pyrazol-1-yl)propyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC12H16N6S
  • Average mass276.361 Da
  • Monoisotopic mass276.115723 Da
  • ChemSpider ID29583006

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-propyl-6-[1-(1H-pyrazol-1-yl)propyl]- [ACD/Index Name]
3-Propyl-6-[1-(1H-pyrazol-1-yl)propyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-Propyl-6-[1-(1H-pyrazol-1-yl)propyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-Propyl-6-[1-(1H-pyrazol-1-yl)propyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]

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: 1.737
Molar Refractivity: 77.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.60
ACD/KOC (pH 5.5): 260.02
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.61
ACD/KOC (pH 7.4): 260.06
Polar Surface Area: 89 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 193.5±7.0 cm3

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