N-(Cyclohexylcarbamoyl)-3-Isothiocyanato-4-Methylbenzenesulfonamide

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Properties Simple | Detailed

Formula C15H19N3O3S2
IUPAC Name 1-cyclohexyl-3-(3-isothiocyanato-4-methyl-phenyl)sulfonyl-urea
Molecular Mass 353.460 g·mol−1
Heat of Formation -395.6 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 400.68 Å 3
Surface Area 351.32 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • benzenesulfonamide, n-((cyclohexylamino)carbonyl)-3-isothiocyanato-4-methyl-
  • metahexamide-isothiocyanate
  • n-((cyclohexylamino)carbonyl)-3-isothiocyanato-4-methylbenzenesulfonamide
CAS Number(s)
  • 70324-56-0
InChIKey RUINLQHKJQVMPA-UHFFFAOYSA-N
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