1-(2-Isopropoxyethyl)-2-Thioxo-1,2,3,5-Tetrahydro-4H-Pyrrolo[3,2-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C11H19N3O2S
IUPAC Name 1-(2-isopropoxyethyl)-2-thioxo-6,7-dihydro-5h-pyrrolo[3,2-d]pyrimidine-4a,6,7,7a-tetraid-4-one
Molecular Mass 257.352 g·mol−1
Heat of Formation -213.3 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 298.04 Å 3
Surface Area 259.85 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-isopropoxyethyl)-2-thioxo-5h-pyrrolo[2,3-e]pyrimidin-4-one
InChIKey FVJCUZCRPIMVLB-UHFFFAOYSA-N
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