ChemSpider 2D Image | 5-Allyl-5-[(butylsulfanyl)methyl]-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinolate | C12H17N2O3S

5-Allyl-5-[(butylsulfanyl)methyl]-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinolate

  • Molecular FormulaC12H17N2O3S
  • Average mass269.341 Da
  • Monoisotopic mass269.096527 Da
  • ChemSpider ID95794210

  • Charge - Charge

More details:

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

4,6(1H,5H)-Pyrimidinedione, 5-[(butylthio)methyl]-2-hydroxy-5-(2-propen-1-yl)-, ion(1-) [ACD/Index Name]
5-Allyl-5-[(butylsulfanyl)methyl]-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinolat [German] [ACD/IUPAC Name]
5-Allyl-5-[(butylsulfanyl)methyl]-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinolate [ACD/IUPAC Name]
5-Allyl-5-[(butylsulfanyl)méthyl]-4,6-dioxo-1,4,5,6-tétrahydro-2-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: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.87
ACD/KOC (pH 5.5): 150.70
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 36.21
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement