Clobenpropit

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Properties Simple | Detailed

Formula C14H17ClN4S
IUPAC Name 3-[(4-chlorophenyl)methyl]-2-(3-imidazol-3-ium-4-ylium-4-ylpropyl)isothiourea
Molecular Mass 308.830 g·mol−1
Heat of Formation 229.6 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 368.88 Å 3
Surface Area 337.9 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1h-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate
  • carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1h-imidazol-4-yl)propyl ester
  • n'-(4-chlorobenzyl)-1-[3-(3h-imidazol-4-yl)propylthio]formamidine
  • n'-[(4-chlorophenyl)methyl]-1-[3-(3h-imidazol-4-yl)propylsulfanyl]formamidine
  • n'-[(4-chlorophenyl)methyl]-1-[3-(3h-imidazol-4-yl)propylsulfanyl]methanimidamide
  • n'-[(4-chlorophenyl)methyl]-1-[3-(3h-imidazol-4-yl)propylthio]formamidine
  • pdsp1_000537
  • pdsp2_000535
  • s-(3-(4(5)-imidazolyl))propyl-n-(4-chlorobenzyl)isothiourea
  • tocris-0752
  • vuf-9153
CAS Number(s)
  • 145231-45-4
InChIKey UCAIEVHKDLMIFL-UHFFFAOYSA-N
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Elements H S N C Cl