ChemSpider 2D Image | 5,5'-{1,3,4-Thiadiazole-2,5-diylbis[sulfanediyl(1-oxo-2,1-ethanediyl)]}bis(6-amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione) | C18H20N8O6S3

5,5'-{1,3,4-Thiadiazole-2,5-diylbis[sulfanediyl(1-oxo-2,1-ethanediyl)]}bis(6-amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione)

  • Molecular FormulaC18H20N8O6S3
  • Average mass540.596 Da
  • Monoisotopic mass540.066772 Da
  • ChemSpider ID1810091

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5,5'-[1,3,4-thiadiazole-2,5-diylbis[thio(1-oxo-2,1-ethanediyl)]]bis[6-amino-1,3-dimethyl- [ACD/Index Name]
5,5'-{1,3,4-Thiadiazol-2,5-diylbis[sulfandiyl(1-oxo-2,1-ethandiyl)]}bis(6-amino-1,3-dimethyl-2,4(1H,3H)-pyrimidindion) [German] [ACD/IUPAC Name]
5,5'-{1,3,4-Thiadiazole-2,5-diylbis[sulfanediyl(1-oxo-2,1-ethanediyl)]}bis(6-amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione) [ACD/IUPAC Name]
5,5'-{1,3,4-Thiadiazole-2,5-diylbis[sulfanediyl(1-oxo-2,1-éthanediyl)]}bis(6-amino-1,3-diméthyl-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: 1.7±0.1 g/cm3
Boiling Point: 703.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.5±35.7 °C
Index of Refraction: 1.748
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.20
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.21
Polar Surface Area: 272 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 107.7±5.0 dyne/cm
Molar Volume: 316.9±5.0 cm3

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