2-(methylsulfonyl)-6-nitrobenzothiazole
  -molcms-05272603472D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878    0.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1369   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1369   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878   -0.8090    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16  5  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <ProductName>
2-(methylsulfonyl)-6-nitrobenzothiazole

>  <CASNumber>
21554-41-6

>  <MolecularFormula>
C8H6N2O4S2

>  <MDLNo>


>  <MolWt>
258.27

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
CS(=O)(=O)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])S1

$$$$