Riluzole hydrochloride
C8H5F3N2OS.ClH
850608-87-6 Copyright (C) 2024 ACS
 16 16  0  0  0  0  0  0  0  0999 V2000
   10.5783    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    2.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0800    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1331    1.8341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1331    4.3259    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0383    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2892    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <cas.rn>
850608-87-6

> <cas.index.name>
2-Benzothiazolamine, 6-(trifluoromethoxy)-, hydrochloride (1:1)

> <molecular.formula>
C8H5F3N2OS.ClH

> <molecular.weight>
270.66

> <melting.point.experimental>
214-216 °C    Solvent: Methanol

$$$$
