ChemSpider 2D Image | 5-[2-(Methylsulfanyl)ethyl]-6-oxo-5-(2-pentanyl)-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinolate | C12H19N2O2S2

5-[2-(Methylsulfanyl)ethyl]-6-oxo-5-(2-pentanyl)-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinolate

  • Molecular FormulaC12H19N2O2S2
  • Average mass287.422 Da
  • Monoisotopic mass287.089355 Da
  • ChemSpider ID95626521

  • Charge - Charge

More details:

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

4(3H)-Pyrimidinone, 2,5-dihydro-6-hydroxy-5-(1-methylbutyl)-5-[2-(methylthio)ethyl]-2-thioxo-, ion(1-) [ACD/Index Name]
5-[2-(Methylsulfanyl)ethyl]-6-oxo-5-(2-pentanyl)-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinolat [German] [ACD/IUPAC Name]
5-[2-(Methylsulfanyl)ethyl]-6-oxo-5-(2-pentanyl)-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinolate [ACD/IUPAC Name]
5-[2-(Méthylsulfanyl)éthyl]-6-oxo-5-(2-pentanyl)-2-thioxo-1,2,5,6-tétrahydro-4-pyrimidinolate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.29
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability:
Surface Tension:
Molar Volume:

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