1-[1-(1-Benzothien-2-Yl)Cyclohexyl]Pyrrolidine

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Properties Simple | Detailed

Formula C18H23NS
IUPAC Name 1-[1-(benzothiophen-2-yl)cyclohexyl]pyrrolidine
Molecular Mass 285.447 g·mol−1
Heat of Formation 100.1 ± 16.7 kJ·mol−1
Dipole Moment 1.38 ± 1.08 D
Volume 354.85 Å 3
Surface Area 303.29 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1-(2-benzo(b)thienyl)cyclohexyl)pyrrolidine
  • 1-[1-(1-benzothiophen-2-yl)cyclohexyl]pyrrolidine
  • 1-[1-(2-benzothiophenyl)cyclohexyl]pyrrolidine
  • 1-btc-pyrrolidine
  • biomol-nt_000051
  • bpbio1_001305
  • thionaphthene, 2-[1-(1-pyrrolidyl)cyclohexyl]-
CAS Number(s)
  • 147299-15-8
InChIKey NDVZYCXZMVQYBS-UHFFFAOYSA-N
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