ChemSpider 2D Image | 5-Ethyl-5-[(3R)-3-hexanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | C12H20N2O2S

5-Ethyl-5-[(3R)-3-hexanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC12H20N2O2S
  • Average mass256.364 Da
  • Monoisotopic mass256.124542 Da
  • ChemSpider ID34993270

  • 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-ethyl-5-[(1R)-1-ethylbutyl]dihydro-2-thioxo- [ACD/Index Name]
5-Ethyl-5-[(3R)-3-hexanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Ethyl-5-[(3R)-3-hexanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
5-Éthyl-5-[(3R)-3-hexanyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
467-38-9 [RN]
thiotetrabarbital [INN]
UNII-1P93TO196Z

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 70.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.53
ACD/KOC (pH 5.5): 1298.68
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 56.09
ACD/KOC (pH 7.4): 459.52
Polar Surface Area: 90 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 223.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement