5319504
  CDK     0409211652

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.0790    0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    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  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  2  6  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  7  2  0  0  0  0 
M  END
> <ID>
CHEBI:169722

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

> <STAR>
2

> <IUPAC_NAME>
3-methylsulanylsulinylprop-1-ene

> <FORMULA>
C4H8OS2

> <MASS>
136.230

> <MONOISOTOPIC_MASS>
136.00166

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3H,1,4H2,2H3

> <INCHIKEY>
ZIMQNNOENLFVMT-UHFFFAOYSA-N

$$$$