ChemSpider 2D Image | 2,2'-((4-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-1,2-Phenylene)bis(Oxy))bis(Ethan-1-Ol) | C21H27N5O4S2

2,2'-((4-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-1,2-Phenylene)bis(Oxy))bis(Ethan-1-Ol)

  • Molecular FormulaC21H27N5O4S2
  • Average mass477.600 Da
  • Monoisotopic mass477.150452 Da
  • ChemSpider ID30832664

More details:

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

2,2'-((4-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-1,2-Phenylene)bis(Oxy))bis(Ethan-1-Ol)
2,2'-{[4-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-1,2-phenylen]bis(oxy)}diethanol [German] [ACD/IUPAC Name]
2,2'-{[4-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-1,2-phenylene]bis(oxy)}diethanol [ACD/IUPAC Name]
2,2'-{[4-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]méthyl}-5-propyl-1,3-thiazol-2-yl)-1,2-phénylène]bis(oxy)}diéthanol [French] [ACD/IUPAC Name]
Ethanol, 2,2'-[[4-[4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-5-propyl-2-thiazolyl]-1,2-phenylene]bis(oxy)]bis- [ACD/Index Name]
2XM

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

Density: 1.4±0.1 g/cm3
Boiling Point: 777.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.0±35.7 °C
Index of Refraction: 1.682
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 24.02
ACD/KOC (pH 5.5): 308.95
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.04
ACD/KOC (pH 7.4): 424.94
Polar Surface Area: 203 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 333.9±5.0 cm3

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