-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.4292   -0.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <ID> (BBL000615)
BBL000615

>  <Rotatable_Bonds> (BBL000615)
3

>  <logP> (BBL000615)
1.91

>  <PSA> (BBL000615)
51.32

>  <H_Donors> (BBL000615)
2

>  <H_Acceptors> (BBL000615)
0

>  <Number_of_rings> (BBL000615)
1

>  <NAME> (BBL000615)
2-(benzylsulfanyl)ethanamine

>  <Mol_Weight> (BBL000615)
167.27

>  <Mol_Formula> (BBL000615)
C9H13NS

>  <Smiles> (BBL000615)
NCCSCc1ccccc1

>  <CAS_Number> (BBL000615)
1007-54-1

>  <Alternative_identifier> (BBL000615)
MFCD00981957

$$$$