1,4:3,6-Dianhydro-1,3-Dithio-D-Iditol

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Properties Simple | Detailed

Formula C6H10O2S2
IUPAC Name (3r,3as,6r,6as)-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene-3,6-diol
Molecular Mass 178.272 g·mol−1
Heat of Formation -378.6 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 196.01 Å 3
Surface Area 180.49 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3as,6r,6as)-2,3,3a,5,6,6a-hexahydrothieno[5,4-d]thiophene-3,6-diol
  • 1,4-3,6-bis(thioanhydro)-d-iditol
  • d-iditol, 1,3,4,6-tetradeoxy-1,4:3,6-diepithio-
CAS Number(s)
  • 35396-08-8
InChIKey KJPRWIPBCQAKMF-ZXXMMSQZSA-N
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