58219334
  CDK     0910211425

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.5080    0.6188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  3  2  0  0  0  0 
  2  7  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
M  END
> <ID>
CHEBI:179662

> <NAME>
S-Propyl 2-propene-1-sulfinothioate

> <STAR>
2

> <IUPAC_NAME>
1-prop-2-enylsulinylsulanylpropane

> <FORMULA>
C6H12OS2

> <MASS>
164.280

> <MONOISOTOPIC_MASS>
164.03296

> <CHARGE>
0

> <SMILES>
S(S(=O)CC=C)CCC

> <INCHI>
InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4H,2-3,5-6H2,1H3

> <INCHIKEY>
WIZBTKYLPUKXNY-UHFFFAOYSA-N

$$$$