138918
  -OEChem-05112401512D

  6  6  0     0  0  0  0  0  0999 V2000
    3.0000    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616    0.9384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616   -0.9384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
138918

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
16

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAABgAAAAAAAAAAAAAABIAAAAAAAAAAAAAAAAAAABgAAAGAQAAAAAAACEQACgAQAAAACEAAACAAAEAAAAAABIAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dithiete

> <PUBCHEM_IUPAC_CAS_NAME>
dithiete

> <PUBCHEM_IUPAC_NAME_MARKUP>
dithiete

> <PUBCHEM_IUPAC_NAME>
dithiete

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dithiete

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dithiete

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H2S2/c1-2-4-3-1/h1-2H

> <PUBCHEM_IUPAC_INCHIKEY>
CTGHONDBXRRMRC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
89.95979241

> <PUBCHEM_MOLECULAR_FORMULA>
C2H2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
90.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CSS1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CSS1

> <PUBCHEM_CACTVS_TPSA>
56.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
89.95979241

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  3  8
2  4  8
3  4  8

$$$$