-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.0667   -1.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -2.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
  4  3  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <ID> (BBL000117)
BBL000117

>  <Rotatable_Bonds> (BBL000117)
3

>  <logP> (BBL000117)
2.328

>  <PSA> (BBL000117)
105.34

>  <H_Donors> (BBL000117)
2

>  <H_Acceptors> (BBL000117)
0

>  <Number_of_rings> (BBL000117)
2

>  <NAME> (BBL000117)
5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-amine

>  <Mol_Weight> (BBL000117)
237.35

>  <Mol_Formula> (BBL000117)
C10H11N3S2

>  <Smiles> (BBL000117)
Nc1nnc(s1)CSCc1ccccc1

>  <Alternative_identifier> (BBL000117)
MFCD01191257

$$$$