-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.8667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
  5  2  1  0  0  0  0
M  END
>  <ID> (BBL000618)
BBL000618

>  <Rotatable_Bonds> (BBL000618)
3

>  <logP> (BBL000618)
2.37

>  <PSA> (BBL000618)
51.32

>  <H_Donors> (BBL000618)
2

>  <H_Acceptors> (BBL000618)
0

>  <Number_of_rings> (BBL000618)
1

>  <NAME> (BBL000618)
2-[(4-methylbenzyl)sulfanyl]ethanamine

>  <Mol_Weight> (BBL000618)
181.30

>  <Mol_Formula> (BBL000618)
C10H15NS

>  <Smiles> (BBL000618)
NCCSCc1ccc(cc1)C

>  <Alternative_identifier> (BBL000618)
MFCD06655639

$$$$