Becipracil

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Properties Simple | Detailed

Formula C12H13NO3S2
IUPAC Name 4-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]sulfanylbenzonitrile
Molecular Mass 283.367 g·mol−1
Heat of Formation -314.0 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 312.53 Å 3
Surface Area 269.29 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]sulfanylbenzonitrile
  • 4-[[(2s,3r,4s,5s)-3,4,5-trihydroxy-2-tetrahydrothiopyranyl]thio]benzonitrile
  • 4-[[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]thio]benzonitrile
  • beciparcil
  • p-((5-thio-beta-d-xylopyranosyl)thio)benzonitrile
CAS Number(s)
  • 130782-54-6
InChIKey LVFZTPIRDLQIGF-KXNHARMFSA-N
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