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

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Properties Simple | Detailed

Formula C15H12ClF2N3S
IUPAC Name 1-(5-chloro-2-pyridyl)-3-[(1r,2r)-2-(2,6-difluorophenyl)cyclopropyl]thiourea
Molecular Mass 339.791 g·mol−1
Heat of Formation -51.2 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 369.88 Å 3
Surface Area 292.72 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-chloro-2-pyridyl)-1-[(1r,2r)-2-(2,6-difluorophenyl)cyclopropyl]thiourea
  • 3-(5-chloropyridin-2-yl)-1-[(1r,2r)-2-(2,6-difluorophenyl)cyclopropyl]thiourea
  • msc-127
  • n'-(5-chloro-2-pyridinyl)-n-[cis-2-(2,6-difluorophenyl)cyclopropyl]-thiourea
InChIKey MLQMPUODICNZDI-JOYOIKCWSA-N
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Elements C F H Cl N S