-ISIS-  08091621332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.1042   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2292    1.4708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5167   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.5208    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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
  5  4  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <ID> (BBL000107)
BBL000107

>  <Rotatable_Bonds> (BBL000107)
1

>  <logP> (BBL000107)
2.202

>  <PSA> (BBL000107)
80.04

>  <H_Donors> (BBL000107)
2

>  <H_Acceptors> (BBL000107)
0

>  <Number_of_rings> (BBL000107)
2

>  <NAME> (BBL000107)
5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine

>  <Mol_Weight> (BBL000107)
211.67

>  <Mol_Formula> (BBL000107)
C8H6ClN3S

>  <Smiles> (BBL000107)
Nc1nnc(s1)c1ccccc1Cl

>  <CAS_Number> (BBL000107)
828-81-9

>  <Alternative_identifier> (BBL000107)
MFCD00548482

$$$$