-ISIS-  08091621332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.9042    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.9708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
  4  5  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <ID> (BBL000524)
BBL000524

>  <Rotatable_Bonds> (BBL000524)
1

>  <logP> (BBL000524)
3.421

>  <PSA> (BBL000524)
79.93

>  <H_Donors> (BBL000524)
0

>  <H_Acceptors> (BBL000524)
0

>  <Number_of_rings> (BBL000524)
2

>  <NAME> (BBL000524)
4-phenyl-1,3-thiazole-2-thiol

>  <Mol_Weight> (BBL000524)
193.29

>  <Mol_Formula> (BBL000524)
C9H7NS2

>  <Smiles> (BBL000524)
Sc1scc(n1)c1ccccc1

>  <CAS_Number> (BBL000524)
2103-88-0

>  <Alternative_identifier> (BBL000524)
MFCD00014508

$$$$