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

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Properties Simple | Detailed

Formula C10H16N2O5S
IUPAC Name 5-[(3as,4s,6ar)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Mass 276.309 g·mol−1
Heat of Formation -930.4 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 305.1 Å 3
Surface Area 276.45 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3as,4s,6ar)-
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3as-(3aalpha,4beta,6aalpha))-
  • 5-[(3ar,6s,6as)-2,5,5-triketo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valeric acid
  • 5-[(3ar,6s,6as)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid
  • biotin sulfone
CAS Number(s)
  • 40720-05-6
InChIKey QPFQYMONYBAUCY-ZKWXMUAHSA-N
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