5366861
  CDK     1106202311

  7  6  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
    5.2224   -0.2063    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
    5.9370    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    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    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:166592

> <NAME>
1-Propenyl propyl sulfide

> <STAR>
2

> <IUPAC_NAME>
1-[(E)-prop-1-enyl]sulanylpropane

> <FORMULA>
C6H12S

> <MASS>
116.220

> <MONOISOTOPIC_MASS>
116.06597

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+

> <INCHIKEY>
RKVNNVDQIVWRNA-HWKANZROSA-N

$$$$