2-Methyl-3,5,6,7-Tetrahydro-4H-Cyclopenta[4,5]Thieno[2,3-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C10H10N2OS
IUPAC Name 3-methyl-7,8-dihydro-6h-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
Molecular Mass 206.264 g·mol−1
Heat of Formation -48.7 ± 16.7 kJ·mol−1
Dipole Moment 1.59 ± 1.08 D
Volume 232.31 Å 3
Surface Area 221.26 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-methyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one
  • bas 00569896
  • bim-0009214.p001
  • cbmicro_009064
InChIKey SSAMSKJKRMKXFV-UHFFFAOYSA-N
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