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

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Formula C10H17N3O2S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide
Molecular Mass 243.326 g·mol−1
Heat of Formation -411.2 ± 16.7 kJ·mol−1
Dipole Moment 6.94 ± 1.08 D
Volume 289.92 Å 3
Surface Area 267.79 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-valeramide
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, hexahydro-2-oxo-, (3as,4s,6ar)-
  • 1h-thieno(3,4-d)imidazole-4-valeramide, hexahydro-2-oxo-, (+)-
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valeramide
  • biotinamide
CAS Number(s)
  • 6929-42-6
InChIKey XFLVBMBRLSCJAI-ZKWXMUAHSA-N
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