ChemSpider 2D Image | 5-Thioxo-2,5-dihydro-1,3,4-oxadiazole-2-carboxylic acid | C3H2N2O3S

5-Thioxo-2,5-dihydro-1,3,4-oxadiazole-2-carboxylic acid

  • Molecular FormulaC3H2N2O3S
  • Average mass146.125 Da
  • Monoisotopic mass145.978607 Da
  • ChemSpider ID95628792

More details:

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

1,3,4-Oxadiazole-2-carboxylic acid, 2,5-dihydro-5-thioxo- [ACD/Index Name]
5-Thioxo-2,5-dihydro-1,3,4-oxadiazol-2-carbonsäure [German] [ACD/IUPAC Name]
5-Thioxo-2,5-dihydro-1,3,4-oxadiazole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-thioxo-2,5-dihydro-1,3,4-oxadiazole-2-carboxylique [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: 278.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.9±6.0 kJ/mol
Flash Point: 122.2±30.1 °C
Index of Refraction: 1.796
Molar Refractivity: 30.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 81.7±7.0 dyne/cm
Molar Volume: 71.2±7.0 cm3

Click to predict properties on the Chemicalize site


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