1,5,6,7,8,9-Hexahydro[1]Benzothieno[2,3-D]Imidazo[1,2-A]Pyrimidin-2(3H)-One

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Formula C12H13N3OS
IUPAC Name 1,5,6,7,8,9-hexahydro[1]benzothieno[2,3-d]imidazo[1,2-a]pyrimidin-2(3h)-one
Molecular Mass 247.316 g·mol−1
Heat of Formation 21.9 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 275.2 Å 3
Surface Area 253.64 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 5,6,7,8,9,11-hexahydro[1]benzothieno[2,3-d]imidazo[1,2-a]pyrimidin-2(3h)-one
InChIKey YQZXTKDIHWCCEN-UHFFFAOYSA-N
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