5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanal

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Formula C10H16N2O2S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanal
Molecular Mass 228.311 g·mol−1
Heat of Formation -347.1 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 275.07 Å 3
Surface Area 256.26 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valeraldehyde
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanal
InChIKey ARDNWGMSCXSPBF-CIUDSAMLSA-N
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