(7As)-3-Thioxohexahydro-1H-Pyrrolo[1,2-C]Imidazol-1-One

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Properties Simple | Detailed

Formula C6H8N2OS
IUPAC Name (7as)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
Molecular Mass 156.206 g·mol−1
Heat of Formation -81.7 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 176.65 Å 3
Surface Area 174.24 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • (7as)-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one
  • (7as)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one
  • 1h-pyrrolo(1,2-c)imidazol-1-one, hexahydro-3-thioxo-, (s)-
  • proline thiohydantoin
CAS Number(s)
  • 61160-12-1
InChIKey ZVDTVBBUOZQAAW-BYPYZUCNSA-N
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