2-[(4-Methylbenzyl)Sulfanyl]-1,5,6,7-Tetrahydro-4H-Cyclopenta[D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C15H16N2OS+
IUPAC Name 2-(p-tolylmethylsulfanyl)-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-one
Molecular Mass 272.365 g·mol−1
Heat of Formation -41.3 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 323.64 Å 3
Surface Area 303.45 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • oprea1_720293
InChIKey SEZPRMPVJMVCBV-UHFFFAOYSA-N
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