ChemSpider 2D Image | 5-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione | C5H4N6O3S

5-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione

  • Molecular FormulaC5H4N6O3S
  • Average mass228.189 Da
  • Monoisotopic mass228.006561 Da
  • ChemSpider ID102563049

More details:

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

1,3,4-Oxadiazole-2(3H)-thione, 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]- [ACD/Index Name]
5-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
5-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione [ACD/IUPAC Name]
5-[(3-Nitro-1H-1,2,4-triazol-1-yl)méthyl]-1,3,4-oxadiazole-2(3H)-thione [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 445.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 222.9±31.5 °C
Index of Refraction: 1.942
Molar Refractivity: 51.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 110.2±7.0 dyne/cm
Molar Volume: 106.3±7.0 cm3

Click to predict properties on the Chemicalize site


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