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

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Properties Simple | Detailed

Formula C18H18ClN3O3S
IUPAC Name 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)thiourea
Molecular Mass 391.872 g·mol−1
Heat of Formation -226.1 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 439.37 Å 3
Surface Area 332.82 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)thiourea
  • 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)thiourea
  • 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-chloropyridin-2-yl)thiourea
  • 3-(5-chloropyridin-2-yl)-1-[(1r,2r)-2-(3-ethanoyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]thiourea
  • msa-300
  • n-[cis-2-(2-hydroxy-3-acetyl-6-methoxy-phenyl)cyclopropyl]-n'-(5-chloro-2-pyridinyl)-thiourea
InChIKey MEFOXQVPZPBMPY-QWHCGFSZSA-N
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Elements C Cl H O N S