1-[(1R,2R)-2-(3-Acetyl-2-Hydroxy-6-Methoxyphenyl)Cyclopropyl]-3-(5-Cyano-2-Pyridinyl)Thiourea

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Properties Simple | Detailed

Formula C19H19N4O3S
IUPAC Name 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-cyanopyridin-1-ium-5-id-2-yl)thiourea
Molecular Mass 383.444 g·mol−1
Heat of Formation -17.8 ± 16.7 kJ·mol−1
Dipole Moment 9.06 ± 1.08 D
Volume 444.57 Å 3
Surface Area 382.27 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-cyano-2-pyridyl)thiourea
  • 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-cyano-2-pyridyl)thiourea
  • 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-cyanopyridin-2-yl)thiourea
  • 1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea
  • 3-(5-cyanopyridin-2-yl)-1-[(1r,2r)-2-(3-ethanoyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]thiourea
  • msc-194
  • msc194
  • msd
  • n-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-n'-(5-cyanopyridin-2-yl)thiourea
InChIKey FSRLCMRWYUJTNT-UONOGXRCSA-N
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