-ISIS-  08091621332D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.3750   -0.7042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4792   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    2.2833    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  1  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
  3  4  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <ID> (BBL000485)
BBL000485

>  <Rotatable_Bonds> (BBL000485)
1

>  <logP> (BBL000485)
2.31

>  <PSA> (BBL000485)
82.4

>  <H_Donors> (BBL000485)
0

>  <H_Acceptors> (BBL000485)
0

>  <Number_of_rings> (BBL000485)
2

>  <NAME> (BBL000485)
1-phenyl-1H-tetrazole-5-thiol

>  <Mol_Weight> (BBL000485)
178.22

>  <Mol_Formula> (BBL000485)
C7H6N4S

>  <Smiles> (BBL000485)
Sc1nnnn1c1ccccc1

>  <CAS_Number> (BBL000485)
86-93-1

>  <Alternative_identifier> (BBL000485)
MFCD00003129

$$$$