ChemSpider 2D Image | 5-[2-(Methylsulfanyl)ethyl]-5-[(2S)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | C12H20N2O2S2

5-[2-(Methylsulfanyl)ethyl]-5-[(2S)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC12H20N2O2S2
  • Average mass288.429 Da
  • Monoisotopic mass288.096619 Da
  • ChemSpider ID34990098
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4,6(1H,5H)-Pyrimidinedione, dihydro-5-[(1S)-1-methylbutyl]-5-[2-(methylthio)ethyl]-2-thioxo- [ACD/Index Name]
5-[2-(Methylsulfanyl)ethyl]-5-[(2S)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
5-[2-(Methylsulfanyl)ethyl]-5-[(2S)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
5-[2-(Méthylsulfanyl)éthyl]-5-[(2S)-2-pentanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
467-43-6 [RN]
methitural [INN]
UNII-DZQ457UJ3Y

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: 1.572
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 141.01
ACD/KOC (pH 5.5): 1189.70
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 37.04
ACD/KOC (pH 7.4): 312.47
Polar Surface Area: 116 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 237.8±5.0 cm3

Click to predict properties on the Chemicalize site






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