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

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Formula C8H12N2O3S
IUPAC Name 3-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]propanoic acid
Molecular Mass 216.257 g·mol−1
Heat of Formation -566.8 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 240.22 Å 3
Surface Area 218.21 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-propanoic acid, hexahydro-2-oxo-, (3as-(3aalpha,4beta,6aalpha))-
  • 3-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]propionic acid
  • 3-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]propanoic acid
  • bisnorbiotin
  • d-allobisnorbiotin
CAS Number(s)
  • 16968-98-2
InChIKey QDFGCLSCEPNVQP-VPLCAKHXSA-N
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