31347
  -OEChem-06191307182D

 15 15  0     0  0  0  0  0  0999 V2000
    2.8090    0.3649    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212    1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    0.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -1.7905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -1.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026   -1.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -1.7905    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  1  0  0  0  0
  1  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31347

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
128

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGAQAAAAACACEQACAAAAAAAoAAAAAAHBAAAAAABAAAAAAAAAAAAAgAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
thiolane 1,1-dioxide

> <PUBCHEM_IUPAC_CAS_NAME>
thiolane 1,1-dioxide

> <PUBCHEM_IUPAC_NAME>
thiolane 1,1-dioxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
thiolane 1,1-dioxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sulfolane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
HXJUTPCZVOIRIF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.8

> <PUBCHEM_EXACT_MASS>
120.0245

> <PUBCHEM_MOLECULAR_FORMULA>
C4H8O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
120.17012

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCS(=O)(=O)C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCS(=O)(=O)C1

> <PUBCHEM_CACTVS_TPSA>
42.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
120.0245

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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

$$$$