ChemSpider 2D Image | 5-Allyl-5-[(1R)-2-cyclohexen-1-yl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | C13H16N2O2S

5-Allyl-5-[(1R)-2-cyclohexen-1-yl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC13H16N2O2S
  • Average mass264.343 Da
  • Monoisotopic mass264.093262 Da
  • ChemSpider ID34990315

  • 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, 5-[(1R)-2-cyclohexen-1-yl]dihydro-5-(2-propen-1-yl)-2-thioxo- [ACD/Index Name]
5-Allyl-5-[(1R)-2-cyclohexen-1-yl]-2-thioxodihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Allyl-5-[(1R)-2-cyclohexen-1-yl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
5-Allyl-5-[(1R)-2-cyclohexén-1-yl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
207-390-3 [EINECS]
467-36-7 [RN]
thialbarbital [INN] [Wiki]
UNII-ENV72C33QD

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: 1.606
Molar Refractivity: 72.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.06
ACD/KOC (pH 5.5): 683.79
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 17.01
ACD/KOC (pH 7.4): 178.82
Polar Surface Area: 90 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 210.0±5.0 cm3

Click to predict properties on the Chemicalize site


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