559083
  CDK     1209202310

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3174   -0.6348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7695   -0.4048    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 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
M  END
> <ID>
CHEBI:167067

> <NAME>
2-Methyl-4,5-dihydrothiophene

> <STAR>
2

> <IUPAC_NAME>
5-methyl-2,3-dihydrothiophene

> <FORMULA>
C5H8S

> <MASS>
100.180

> <MONOISOTOPIC_MASS>
100.03467

> <CHARGE>
0

> <SMILES>
S1CCC=C1C

> <INCHI>
InChI=1S/C5H8S/c1-5-3-2-4-6-5/h3H,2,4H2,1H3

> <INCHIKEY>
KBUVXRDFMQNIPD-UHFFFAOYSA-N

$$$$