ChemSpider 2D Image | 4,4-Dimethyl-2'-(methylsulfanyl)-1',5',7',8'-tetrahydro-2H,4'H,6H-spiro[cyclohexane-1,6'-pyrido[2,3-d]pyrimidine]-2,4',6-trione | C15H19N3O3S

4,4-Dimethyl-2'-(methylsulfanyl)-1',5',7',8'-tetrahydro-2H,4'H,6H-spiro[cyclohexane-1,6'-pyrido[2,3-d]pyrimidine]-2,4',6-trione

  • Molecular FormulaC15H19N3O3S
  • Average mass321.395 Da
  • Monoisotopic mass321.114716 Da
  • ChemSpider ID21134203

More details:

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

4,4-Dimethyl-2'-(methylsulfanyl)-1',5',7',8'-tetrahydro-2H,4'H,6H-spiro[cyclohexane-1,6'-pyrido[2,3-d]pyrimidine]-2,4',6-trione [ACD/IUPAC Name]
Spiro[cyclohexane-1,6'(5'H)-pyrido[2,3-d]pyrimidine]-2,6-dione, 7',8'-dihydro-4'-hydroxy-4,4-dimethyl-2'-(methylthio)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 576.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 14.74
ACD/KOC (pH 5.5): 190.63
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 11.15
ACD/KOC (pH 7.4): 144.15
Polar Surface Area: 117 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 231.0±5.0 cm3

Click to predict properties on the Chemicalize site


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