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

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Formula C11H18N2O3S
IUPAC Name 6-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]hexanoic acid
Molecular Mass 258.337 g·mol−1
Heat of Formation -624.9 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 307.66 Å 3
Surface Area 285.67 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-hexanoic acid
  • 6-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]hexanoic acid
  • homobiotin
  • shm
InChIKey CUIOUBJXOZHWNJ-NRPADANISA-N
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