62000
  CDK     0602212310

  7  6  0  0  0  0  0  0  0  0999 V2000
    5.2224    0.0495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  6  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
M  END
> <ID>
CHEBI:173453

> <NAME>
4-(Methylthio)butanal

> <STAR>
2

> <IUPAC_NAME>
4-methylsulanylbutanal

> <FORMULA>
C5H10OS

> <MASS>
118.190

> <MONOISOTOPIC_MASS>
118.04524

> <CHARGE>
0

> <SMILES>
S(CCCC=O)C

> <INCHI>
InChI=1S/C5H10OS/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3

> <INCHIKEY>
RZBUXNXJKZHGLL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
42919-64-2

> <CHEMIDPLUS>
42919-64-2

$$$$