ChemSpider 2D Image | 1,3-Dimethyl-6-({[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfonyl}methyl)-2,4(1H,3H)-pyrimidinedione | C11H14N4O5S

1,3-Dimethyl-6-({[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfonyl}methyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H14N4O5S
  • Average mass314.318 Da
  • Monoisotopic mass314.068481 Da
  • ChemSpider ID26072176

More details:

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

1,3-Dimethyl-6-({[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfonyl}methyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1,3-Dimethyl-6-({[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfonyl}methyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1,3-Diméthyl-6-({[(3-méthyl-1,2,4-oxadiazol-5-yl)méthyl]sulfonyl}méthyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-[[[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfonyl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 549.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.2±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.74
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.74
Polar Surface Area: 122 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 217.7±3.0 cm3

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