ChemSpider 2D Image | 6-Amino-1,3-dimethyl-5-{(E)-[2-(methylsulfanyl)benzylidene]amino}-2,4(1H,3H)-pyrimidinedione | C14H16N4O2S

6-Amino-1,3-dimethyl-5-{(E)-[2-(methylsulfanyl)benzylidene]amino}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC14H16N4O2S
  • Average mass304.367 Da
  • Monoisotopic mass304.099396 Da
  • ChemSpider ID30656806

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-5-[[(1E)-[2-(methylthio)phenyl]methylene]amino]- [ACD/Index Name]
6-Amino-1,3-dimethyl-5-{(E)-[2-(methylsulfanyl)benzyliden]amino}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
6-Amino-1,3-dimethyl-5-{(E)-[2-(methylsulfanyl)benzylidene]amino}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
6-Amino-1,3-diméthyl-5-{(E)-[2-(méthylsulfanyl)benzylidène]amino}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 420.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.2±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.78
ACD/KOC (pH 5.5): 120.96
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.00
ACD/KOC (pH 7.4): 125.48
Polar Surface Area: 104 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 230.5±7.0 cm3

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