14412548
  CDK     0910211425

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.7935   -0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0313    0.0000 O   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
    3.0789    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   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.0313    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  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:179665

> <NAME>
R-1-Propenyl 1-propanesulfinothioate

> <STAR>
2

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

> <FORMULA>
C6H12OS2

> <MASS>
164.280

> <MONOISOTOPIC_MASS>
164.03296

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3-

> <INCHIKEY>
XLVMWOFYTFNDKM-HYXAFXHYSA-N

$$$$