131751295
  CDK     0910211425

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.2364    0.3630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.0495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -0.8745    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:179664

> <NAME>
R-Propyl 1-propenesulfinothioate

> <STAR>
2

> <IUPAC_NAME>
1-[(Z)-prop-1-enyl]sulinylsulanylpropane

> <FORMULA>
C6H12OS2

> <MASS>
164.280

> <MONOISOTOPIC_MASS>
164.03296

> <CHARGE>
0

> <SMILES>
S(S(=O)/C=C\C)CCC

> <INCHI>
InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4-

> <INCHIKEY>
PQPRIQKDDOEUMO-XQRVVYSFSA-N

$$$$