ChemSpider 2D Image | 5-(4-Nitro-2-thienyl)-1,2,4-oxadiazol-3-amine | C6H4N4O3S

5-(4-Nitro-2-thienyl)-1,2,4-oxadiazol-3-amine

  • Molecular FormulaC6H4N4O3S
  • Average mass212.186 Da
  • Monoisotopic mass212.000412 Da
  • ChemSpider ID61235933

More details:

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

1,2,4-Oxadiazol-3-amine, 5-(4-nitro-2-thienyl)- [ACD/Index Name]
5-(4-Nitro-2-thienyl)-1,2,4-oxadiazol-3-amin [German] [ACD/IUPAC Name]
5-(4-Nitro-2-thienyl)-1,2,4-oxadiazol-3-amine [ACD/IUPAC Name]
5-(4-Nitro-2-thiényl)-1,2,4-oxadiazol-3-amine [French] [ACD/IUPAC Name]
1858549-76-4 [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: 462.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 81.61
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 81.61
Polar Surface Area: 139 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 85.1±3.0 dyne/cm
Molar Volume: 127.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement