N-{4-Chloro-3-[(3-Methyl-2-Buten-1-Yl)Oxy]Phenyl}-2-Methyl-3-Furancarbothioamide

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Properties Simple | Detailed

Formula C17H18ClNO2S
IUPAC Name n-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide
Molecular Mass 335.848 g·mol−1
Heat of Formation -82.5 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 401.98 Å 3
Surface Area 339.14 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide
  • 3-furancarbothioamide, n-(4-chloro-3-((3-methyl-2-butenyl)oxy)phenyl)-2-methyl-
  • furancarbothioanilide deriv
  • gna & uc-781
  • hha & uc-781
  • n-(4-chloro-3-((3-methyl-2-butenyl)oxy)phenyl)-2-methyl-3-furancarbothioamide
  • n-[4-chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-furancarbothioamide
  • n-[4-chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-furancarbothioamide & galanthus nivalis agglutinin (gna)
  • n-[4-chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-furancarbothioamide & hippeastrum hybrid agglutinin( hha)
  • n-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-3-furancarbothioamide
  • n-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide
  • n-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide
  • thiocarboxanilide
  • uc 781
  • uc-781
  • uc1
  • uc781
CAS Number(s)
  • 178870-32-1
InChIKey YZHIXLCGPOTQNB-UHFFFAOYSA-N
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