549931
  CDK     0118241600

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.1021   -0.3010    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172   -0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5870   -0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6896    0.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7695    0.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146    0.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  1  6  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:229367

> <NAME>
2-Methylthiolane, S,S-dioxide

> <STAR>
2

> <IUPAC_NAME>
2-methylthiolane 1,1-dioxide

> <FORMULA>
C5H10O2S

> <MASS>
134.190

> <MONOISOTOPIC_MASS>
134.04015

> <CHARGE>
0

> <SMILES>
S1(=O)(=O)C(CCC1)C

> <INCHI>
InChI=1S/C5H10O2S/c1-5-3-2-4-8(5,6)7/h5H,2-4H2,1H3

> <INCHIKEY>
PPDFQRAASCRJAH-UHFFFAOYSA-N

$$$$