ChemSpider 2D Image | 6-Propyl-2-thioxo(1,3-~2~H_2_)-2,3-dihydro-4(1H)-pyrimidinone | C7H8D2N2OS

6-Propyl-2-thioxo(1,3-2H2)-2,3-dihydro-4(1H)-pyrimidinone

  • Molecular FormulaC7H8D2N2OS
  • Average mass172.244 Da
  • Monoisotopic mass172.063934 Da
  • ChemSpider ID95629879
  • Non-standard isotope - Non-standard isotope


More details:






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

4(1H)-Pyrimidinone-1-d, 2,3-dihydro-3-d-6-propyl-2-thioxo- [ACD/Index Name]
6-Propyl-2-thioxo(1,3-2H2)-2,3-dihydro-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
6-Propyl-2-thioxo(1,3-2H2)-2,3-dihydro-4(1H)-pyrimidinone [ACD/IUPAC Name]
6-Propyl-2-thioxo(1,3-2H2)-2,3-dihydro-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 46.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 42.39
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.28
Polar Surface Area: 73 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 137.0±5.0 cm3

Click to predict properties on the Chemicalize site






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