-ISIS-  08251614012D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.3750   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9667    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    1.6917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9417    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  0  0  0  0
 10 17  1  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 18 10  2  0  0  0  0
  8 15  2  0  0  0  0
M  END
>  <ID> (STK810107)
STK810107

>  <Rotatable_Bonds> (STK810107)
3

>  <logP> (STK810107)
4.433

>  <PSA> (STK810107)
51.6

>  <H_Donors> (STK810107)
0

>  <H_Acceptors> (STK810107)
2

>  <Number_of_rings> (STK810107)
2

>  <NAME> (STK810107)
S-(4-methylphenyl) (4-fluorophenoxy)ethanethioate

>  <Mol_Weight> (STK810107)
276.33

>  <Mol_Formula> (STK810107)
C15H13FO2S

>  <Smiles> (STK810107)
O=C(Sc1ccc(cc1)C)COc1ccc(cc1)F

$$$$