ChemSpider 2D Image | 3-(3-Methyl-4-nitro-1,2-thiazol-5-yl)-1,2,4-oxadiazole | C6H4N4O3S

3-(3-Methyl-4-nitro-1,2-thiazol-5-yl)-1,2,4-oxadiazole

  • Molecular FormulaC6H4N4O3S
  • Average mass212.186 Da
  • Monoisotopic mass212.000412 Da
  • ChemSpider ID60970218

More details:

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

1,2,4-Oxadiazole, 3-(3-methyl-4-nitro-5-isothiazolyl)- [ACD/Index Name]
3-(3-Methyl-4-nitro-1,2-thiazol-5-yl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-(3-Methyl-4-nitro-1,2-thiazol-5-yl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(3-Méthyl-4-nitro-1,2-thiazol-5-yl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
59037-96-6 [RN]
MFCD25965123

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

Density: 1.6±0.1 g/cm3
Boiling Point: 279.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.8±3.0 kJ/mol
Flash Point: 123.0±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 65.65
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 65.65
Polar Surface Area: 126 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 134.8±3.0 cm3

Click to predict properties on the Chemicalize site


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