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

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Formula C10H18N4O2S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanehydrazide
Molecular Mass 258.341 g·mol−1
Heat of Formation -275.1 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 306.84 Å 3
Surface Area 284.12 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • ()-biotin hydrazide
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, hydrazide, (3as,4s,6ar)-
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, hydrazide, (3as-(3aalpha,4beta,6aalpha))-
  • 5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanohydrazide
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valerohydrazide
  • biotin hydrazide
CAS Number(s)
  • 66640-86-6
InChIKey KOZWHQPRAOJMBN-ZKWXMUAHSA-N
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