9258
  -OEChem-11232503352D

  9  9  0     0  0  0  0  0  0999 V2000
    2.3090    0.7694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.7694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.1816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    0.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9258

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
24.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAAABgAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAEAQAAAAAAAAAAACAAAAAAAgAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,4-trithiolane

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,4-trithiolane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,4-trithiolane

> <PUBCHEM_IUPAC_NAME>
1,2,4-trithiolane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,4-trithiolane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,4-trithiolane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
QHGFEUAAQKJXDI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
123.94751365

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4S3

> <PUBCHEM_MOLECULAR_WEIGHT>
124.3

> <PUBCHEM_SMILES>
C1SCSS1

> <PUBCHEM_CONNECTIVITY_SMILES>
C1SCSS1

> <PUBCHEM_CACTVS_TPSA>
75.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
123.94751365

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$
