(2R)-5-Hydroxy-2,4-Dimethyl-2-[(1E)-2-Methyl-1,3-Butadien-1-Yl]-3(2H)-Thiophenone

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Properties Simple | Detailed

Formula C11H14O2S
IUPAC Name (2r)-5-hydroxy-2,4-dimethyl-2-[(1e)-2-methylbuta-1,3-dienyl]thiophen-3-one
Molecular Mass 210.293 g·mol−1
Heat of Formation -224.7 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 260.79 Å 3
Surface Area 238.85 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-thiolactomycin
  • (2r)-5-hydroxy-2,4-dimethyl-2-[(1e)-2-methylbuta-1,3-dienyl]-3-thiophenone
  • (2r)-5-hydroxy-2,4-dimethyl-2-[(1e)-2-methylbuta-1,3-dienyl]thiophen-3-one
  • (4-r)(2e,5e)-2,4,6-trimethyl-3-hydroxy-2,5,7-octatriene-4-thiolide
  • (5r)-4-hydroxy-3,5-dimethyl-5-[(1e)-2-methyl-1,3-butadienyl]-2(5h)-thiophenone
  • (r)-(+)-thiolactomycin
  • (r-(e))-3,5-dimethyl-4-hydroxy-5-(2-methyl-1,3-butadienyl)-2(5h)-- thiophenone
  • (r-(e))-3,5-dimethyl-4-hydroxy-5-(2-methyl-1,3-butadienyl)-2(5h)-thiophenone
  • 2(5h)-thiophenone, 3,5-dimethyl-4-hydroxy-5-(2-methyl-1,3-butadienyl)-, (r-(e))-
  • 2(5h)-thiophenone, 4-hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadienyl)-, (s-(e))-
  • 4-hydroxy-3,5-dimethyl-5-(2-methyl-buta-1,3-dienyl)-5h-thiophen-2-one
  • 82079-32-1 (r-isomer)
  • [r-(e)]-4-hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadienyl)-2(5h)-thiophenone
  • antibiotic 2-200
  • thiolactomycin
  • tlm
CAS Number(s)
  • 82079-32-1
InChIKey HGCGJTZCWZFGBT-XUIVZRPNSA-N
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