2-(2,7-Dimethyl-5H-Pyrimido[4,5-D][1,3]Thiazolo[3,2-A]Pyrimidin-8-Yl)Ethyl Hexanoate

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Formula C18H24N4O2S
IUPAC Name 2-(2,7-dimethyl-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl)ethyl hexanoate
Molecular Mass 360.474 g·mol−1
Heat of Formation -231.5 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 437.01 Å 3
Surface Area 336.94 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • hexanoic acid, 2-(2,7-dimethyl-5h-pyrimido(4,5-d)thiazolo(3,2-alpha)pyrimidin-8-yl)ethyl ester
  • thiochrome caproate
CAS Number(s)
  • 94617-29-5
InChIKey ZJDIBIOAUBFOOX-UHFFFAOYSA-N
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