ChemSpider 2D Image | 3-[6-(4-Methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol | C14H16N4O2S

3-[6-(4-Methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol

  • Molecular FormulaC14H16N4O2S
  • Average mass304.367 Da
  • Monoisotopic mass304.099396 Da
  • ChemSpider ID21125958

More details:

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

3-[6-(4-Methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [ACD/IUPAC Name]
3-[6-(4-Methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [German] [ACD/IUPAC Name]
3-[6-(4-Méthoxyphényl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [French] [ACD/IUPAC Name]
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-3-propanol, 6-(4-methoxyphenyl)- [ACD/Index 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: 554.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.3±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 82.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.87
ACD/KOC (pH 5.5): 166.00
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.87
ACD/KOC (pH 7.4): 166.07
Polar Surface Area: 98 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 214.8±7.0 cm3

Click to predict properties on the Chemicalize site


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