12244237
  -OEChem-05052422282D

  6  5  0     0  0  0  0  0  0999 V2000
    3.4030   -0.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0600    0.0000 H   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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12244237

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
83.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAQAAAAAAAAAAACAAAAAAAIEAAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sulfonylmethane

> <PUBCHEM_IUPAC_CAS_NAME>
sulfonylmethane

> <PUBCHEM_IUPAC_NAME_MARKUP>
sulfonylmethane

> <PUBCHEM_IUPAC_NAME>
sulfonylmethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sulfonylmethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sulfonylmethane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2O2S/c1-4(2)3/h1H2

> <PUBCHEM_IUPAC_INCHIKEY>
LZOZLBFZGFLFBV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
77.97755048

> <PUBCHEM_MOLECULAR_FORMULA>
CH2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
78.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=S(=O)=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=S(=O)=O

> <PUBCHEM_CACTVS_TPSA>
35.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
77.97755048

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$