Ketcher 07202314092D 1   1.00000     0.00000     0

  8  7  0     1  0            999 V2000
    1.4434    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094   -0.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5773   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5773   -1.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1547   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    0.2778    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8868   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  3  4  2  0     0  0
  5  3  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
M  END
> <ID>
CHEBI:195451

> <NAME>
1-hydroxy-4-(methythio)butan-2-one

> <STAR>
2

> <SYNONYM>
1-hydroxy-4-(methythio)butan-2-one

> <FORMULA>
C5H10O2S

> <MASS>
134.190

> <MONOISOTOPIC_MASS>
134.04015

> <CHARGE>
0

> <SMILES>
C(O)C(=O)CCSC

> <INCHI>
InChI=1S/C5H10O2S/c1-8-3-2-5(7)4-6/h6H,2-4H2,1H3

> <INCHIKEY>
HFABMVXGFGEPKQ-UHFFFAOYSA-N

$$$$