ChemSpider 2D Image | 5-Allyl-5-[(1,1,1-~2~H_3_)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | C12H15D3N2O2S

5-Allyl-5-[(1,1,1-2H3)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC12H15D3N2O2S
  • Average mass257.367 Da
  • Monoisotopic mass257.127716 Da
  • ChemSpider ID48063373

  • Non-standard isotope - Non-standard isotope

More details:

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

4,6(1H,5H)-Pyrimidinedione, dihydro-5-[1-(methyl-d3)butyl]-5-(2-propen-1-yl)-2-thioxo- [ACD/Index Name]
5-Allyl-5-[(1,1,1-2H3)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Allyl-5-[(1,1,1-2H3)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
5-Allyl-5-[(1,1,1-2H3)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
1794979-42-2 [RN]
5-prop-2-enyl-2-sulfanylidene-5-(1,1,1-trideuteriopentan-2-yl)-1,3-diazinane-4,6-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.551
Molar Refractivity: 70.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 92.89
ACD/KOC (pH 5.5): 884.17
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 28.06
ACD/KOC (pH 7.4): 267.11
Polar Surface Area: 90 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 219.2±5.0 cm3

Click to predict properties on the Chemicalize site


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