20216915
  CDK     0602212310

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.3645    0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    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
    4.5080    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
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  5  1  0  0  0  0 
  2  4  1  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
M  END
> <ID>
CHEBI:173564

> <NAME>
S-2-Propenyl methanesulfinothioate

> <STAR>
2

> <IUPAC_NAME>
3-methylsulinylsulanylprop-1-ene

> <FORMULA>
C4H8OS2

> <MASS>
136.230

> <MONOISOTOPIC_MASS>
136.00166

> <CHARGE>
0

> <SMILES>
S(SCC=C)(=O)C

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

> <INCHIKEY>
BBZQGJLFMJHRSD-UHFFFAOYSA-N

$$$$