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Search term: AWTHEUKNNKZNEO-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 3-Isobutyl-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C14H16N4OS


  • Molecular FormulaC14H16N4OS
  • Average mass288.368 Da
  • Monoisotopic mass288.104492 Da
  • ChemSpider ID21748830

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-(2-methylpropyl)-6-(phenoxymethyl)- [ACD/Index Name]
3-Isobutyl-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-Isobutyl-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-Isobutyl-6-(phénoxyméthyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
(3-isobutyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl phenyl ether
947832-72-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.97
ACD/KOC (pH 5.5): 953.38
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.97
ACD/KOC (pH 7.4): 953.38
Polar Surface Area: 81 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 216.7±7.0 cm3

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