-ISIS-  08091621332D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.3583    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833    0.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2458    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083    0.1833    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  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
  5  4  2  0  0  0  0
M  END
>  <ID> (BBL000651)
BBL000651

>  <Rotatable_Bonds> (BBL000651)
4

>  <logP> (BBL000651)
1.071

>  <PSA> (BBL000651)
64.46

>  <H_Donors> (BBL000651)
2

>  <H_Acceptors> (BBL000651)
1

>  <Number_of_rings> (BBL000651)
1

>  <NAME> (BBL000651)
2-[(furan-2-ylmethyl)sulfanyl]ethanamine

>  <Mol_Weight> (BBL000651)
157.24

>  <Mol_Formula> (BBL000651)
C7H11NOS

>  <Smiles> (BBL000651)
NCCSCc1ccco1

>  <CAS_Number> (BBL000651)
36415-21-1

>  <Alternative_identifier> (BBL000651)
MFCD01075029

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