Riluzole

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Properties Simple | Detailed

Formula C8H5F3N2OS
IUPAC Name 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
Molecular Mass 234.198 g·mol−1
Heat of Formation -634.2 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 227.16 Å 3
Surface Area 219.62 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-6-(trifluoromethoxy)benzothiazole
  • 2-benzothiazolamine, 6-(trifluoromethoxy)-
  • 6-trifluoromethoxy-benzothiazol-2-ylamine
  • [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amine
  • benzothiazole, 2-amino-6-trifluoromethoxy-
  • bf-37
  • bio1_000416
  • bio1_000905
  • bio1_001394
  • biomol-nt_000245
  • bpbio1_000037
  • bpbio1_000837
  • d00775
  • pk-26124
  • prestwick-03a08
  • rilutek
  • riluzole (jan/usan/inn)
  • rp 54274
  • rp-54274
  • tocris-0768
  • zero/001785
CAS Number(s)
  • 1744-22-5
InChIKey FTALBRSUTCGOEG-UHFFFAOYSA-N
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