ChemSpider 2D Image | 6-[(2,2,3,3,3-~2~H_5_)Propyl]-2-thioxo-2,5-dihydro-4(3H)-pyrimidinone | C7H5D5N2OS

6-[(2,2,3,3,3-2H5)Propyl]-2-thioxo-2,5-dihydro-4(3H)-pyrimidinone

  • Molecular FormulaC7H5D5N2OS
  • Average mass175.263 Da
  • Monoisotopic mass175.082764 Da
  • ChemSpider ID128943315

  • Non-standard isotope - Non-standard isotope

More details:

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

4(3H)-Pyrimidinone, 2,5-dihydro-6-(propyl-2,2,3,3,3-d5)-2-thioxo- [ACD/Index Name]
6-[(2,2,3,3,3-2H5)Propyl]-2-thioxo-2,5-dihydro-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
6-[(2,2,3,3,3-2H5)Propyl]-2-thioxo-2,5-dihydro-4(3H)-pyrimidinone [ACD/IUPAC Name]
6-[(2,2,3,3,3-2H5)Propyl]-2-thioxo-2,5-dihydro-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
1189423-94-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 46.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.54
ACD/KOC (pH 5.5): 133.50
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.13
ACD/KOC (pH 7.4): 125.02
Polar Surface Area: 74 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 131.1±7.0 cm3

Click to predict properties on the Chemicalize site


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