ChemSpider 2D Image | 3-[6-(2,4-Dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol | C13H12Cl2N4OS

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

  • Molecular FormulaC13H12Cl2N4OS
  • Average mass343.232 Da
  • Monoisotopic mass342.010895 Da
  • ChemSpider ID21126003

More details:

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

3-[6-(2,4-Dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [ACD/IUPAC Name]
3-[6-(2,4-Dichlorophényl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [French] [ACD/IUPAC Name]
3-[6-(2,4-Dichlorphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [German] [ACD/IUPAC Name]
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-3-propanol, 6-(2,4-dichlorophenyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 572.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 300.2±32.9 °C
Index of Refraction: 1.745
Molar Refractivity: 85.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.16
ACD/KOC (pH 5.5): 699.44
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.18
ACD/KOC (pH 7.4): 699.64
Polar Surface Area: 89 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 211.7±7.0 cm3

Click to predict properties on the Chemicalize site


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