5-[4-(tert-Butyl)benzyl]-1,3,4-thiadiazol-2-amine
  -molcms-06242608202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.5686    0.0055    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   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
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -1.0000    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
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3776    1.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0468    0.6636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535   -1.1160    0.0000 N   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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  4  1  0  0  0  0
  2 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  1  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <ProductName>
5-[4-(tert-Butyl)benzyl]-1,3,4-thiadiazol-2-amine

>  <CASNumber>
100988-12-3

>  <MolecularFormula>
C13H17N3S

>  <MDLNo>


>  <MolWt>
247.36

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
S1C(CC2=CC=C(C(C)(C)C)C=C2)=NN=C1N

$$$$