-ISIS-  08091621332D

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.8333    0.6208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1500    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6708    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  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  7  1  0  0  0  0
M  END
>  <ID> (BBL000613)
BBL000613

>  <Rotatable_Bonds> (BBL000613)
2

>  <logP> (BBL000613)
1.427

>  <PSA> (BBL000613)
51.32

>  <H_Donors> (BBL000613)
2

>  <H_Acceptors> (BBL000613)
0

>  <Number_of_rings> (BBL000613)
0

>  <NAME> (BBL000613)
2-(tert-butylsulfanyl)ethanamine

>  <Mol_Weight> (BBL000613)
133.26

>  <Mol_Formula> (BBL000613)
C6H15NS

>  <Smiles> (BBL000613)
NCCSC(C)(C)C

>  <CAS_Number> (BBL000613)
60116-77-0

>  <Alternative_identifier> (BBL000613)
MFCD00235190

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