(S)-3-(4-(Butylthio)-1,2,5-Thiadiazol-3-Yl)Quinuclidine

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Properties Simple | Detailed

Formula C13H21N3S2
IUPAC Name 3-butylsulfanyl-4-[(3s)-quinuclidin-3-yl]-1,2,5-thiadiazole
Molecular Mass 283.456 g·mol−1
Heat of Formation 116.3 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 346.27 Å 3
Surface Area 303.16 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(4-butylsulfanyl-1,2,5-thiadiazol-3-yl)quinuclidine
  • (3s)-3-[4-(butylthio)-1,2,5-thiadiazol-3-yl]quinuclidine
  • (8s)-8-(4-butylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[2.2.2]octane
InChIKey WZZPXVURFDJHGI-LLVKDONJSA-N
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