ChemSpider 2D Image | 4-(1,3-Thiazol-4-yl)-1,2,5-oxadiazole-3-carbonitrile | C6H2N4OS

4-(1,3-Thiazol-4-yl)-1,2,5-oxadiazole-3-carbonitrile

  • Molecular FormulaC6H2N4OS
  • Average mass178.171 Da
  • Monoisotopic mass177.994934 Da
  • ChemSpider ID74691440

More details:

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

1,2,5-Oxadiazole-3-carbonitrile, 4-(4-thiazolyl)- [ACD/Index Name]
4-(1,3-Thiazol-4-yl)-1,2,5-oxadiazol-3-carbonitril [German] [ACD/IUPAC Name]
4-(1,3-Thiazol-4-yl)-1,2,5-oxadiazole-3-carbonitrile [ACD/IUPAC Name]
4-(1,3-Thiazol-4-yl)-1,2,5-oxadiazole-3-carbonitrile [French] [ACD/IUPAC 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: 428.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.2±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 71.77
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 71.77
Polar Surface Area: 104 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 111.2±5.0 cm3

Click to predict properties on the Chemicalize site


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