ChemSpider 2D Image | 5-(5-Nitro-2-furyl)-4H-1,2,4-triazole-3-thiol | C6H4N4O3S

5-(5-Nitro-2-furyl)-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC6H4N4O3S
  • Average mass212.186 Da
  • Monoisotopic mass212.000412 Da
  • ChemSpider ID38105140

More details:

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

4H-1,2,4-Triazole-3-thiol, 5-(5-nitro-2-furanyl)- [ACD/Index Name]
5-(5-Nitro-2-furyl)-4H-1,2,4-triazol-3-thiol [German] [ACD/IUPAC Name]
5-(5-Nitro-2-furyl)-4H-1,2,4-triazole-3-thiol [ACD/IUPAC Name]
5-(5-Nitro-2-furyl)-4H-1,2,4-triazole-3-thiol [French] [ACD/IUPAC Name]
3H-1,2,4-TRIAZOLE-3-THIONE, 1,2-DIHYDRO-5-(5-NITRO-2-FURANYL)-
5-(5-Nitrofuran-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
5-(5-Nitrofuran-2-yl)-1H-1,2,4-triazole-3(2H)-thione
57672-16-9 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 464.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.6±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.12
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 86.5±3.0 dyne/cm
Molar Volume: 126.7±3.0 cm3

Click to predict properties on the Chemicalize site


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