tert-Butyl (5-bromo-3-methylisothiazol-4-yl)carbamate
  -molcms-06202613572D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.7226    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316    0.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4451    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5497   -0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2541    0.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3587   -0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8271   -0.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    0.5878    0.0000 N   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
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090   -1.5878    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -1.3090    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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
  1  7  2  0  0  0  0
  1  8  1  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
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <ProductName>
tert-Butyl (5-bromo-3-methylisothiazol-4-yl)carbamate

>  <CASNumber>
2567560-92-1

>  <MolecularFormula>
C9H13BrN2O2S

>  <MDLNo>


>  <MolWt>
293.18

>  <BoilingPoint>
230.5��40.0 ��C(Predicted)

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C(OC(C)(C)C)(=O)NC1=C(Br)SN=C1C

$$$$