ChemSpider 2D Image | 7-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one | C8H4N4O2S2

7-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC8H4N4O2S2
  • Average mass252.273 Da
  • Monoisotopic mass251.977570 Da
  • ChemSpider ID102563130

More details:

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

5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(4,5-dihydro-5-thioxo-1,3,4-oxadiazol-2-yl)- [ACD/Index Name]
7-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
7-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
7-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 381.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.2±30.7 °C
Index of Refraction: 1.962
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 91.6±7.0 dyne/cm
Molar Volume: 127.8±7.0 cm3

Click to predict properties on the Chemicalize site


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