ChemSpider 2D Image | 3-Isopropyl-6-(1-propyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C12H16N6S

3-Isopropyl-6-(1-propyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC12H16N6S
  • Average mass276.361 Da
  • Monoisotopic mass276.115723 Da
  • ChemSpider ID29626306

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-(1-methylethyl)-6-(1-propyl-1H-pyrazol-5-yl)- [ACD/Index Name]
3-Isopropyl-6-(1-propyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-Isopropyl-6-(1-propyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-Isopropyl-6-(1-propyl-1H-pyrazol-5-yl)[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: 1.739
Molar Refractivity: 77.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.89
ACD/KOC (pH 5.5): 306.51
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.89
ACD/KOC (pH 7.4): 306.51
Polar Surface Area: 89 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 192.6±7.0 cm3

Click to predict properties on the Chemicalize site


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