1-Cyclohexyl-4-((1-Phenyl-1H-Tetrazol-5-Yl)Thio)-1-Butanone

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Properties Simple | Detailed

Formula C17H22N4OS
IUPAC Name 1-cyclohexyl-4-(1-phenyltetrazol-5-yl)sulfanyl-butan-1-one
Molecular Mass 330.448 g·mol−1
Heat of Formation 158.6 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 400.96 Å 3
Surface Area 366.43 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanone, 1-cyclohexyl-4-((1-phenyl-1h-tetrazol-5-yl)thio)-
  • 1-cpttb
  • 1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone
  • 1-cyclohexyl-4-(1-phenyltetrazol-5-yl)sulfanyl-butan-1-one
  • 1-cyclohexyl-4-(1-phenyltetrazol-5-yl)sulfanylbutan-1-one
  • 1-cyclohexyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one
  • 1-cyclohexyl-4-[(1-phenyl-5-tetrazolyl)thio]butan-1-one
  • 1-cyclohexyl-4-[(1-phenyltetrazol-5-yl)thio]butan-1-one
CAS Number(s)
  • 80087-23-6
InChIKey HNNQYYDGTCRRIK-UHFFFAOYSA-N
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