2723630
  -OEChem-04262403282D

  9  9  0     0  0  0  0  0  0999 V2000
    3.2601    0.6749    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    1.4839    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.8639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588   -0.4677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2723630

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
106

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDAABgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAABAQYAAAAAAAAAAAAAABiAAgEAAAAAAAAAABAAAMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,4-thiadiazolidine-2,5-dithione

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,4-thiadiazolidine-2,5-dithione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,4-thiadiazolidine-2,5-dithione

> <PUBCHEM_IUPAC_NAME>
1,3,4-thiadiazolidine-2,5-dithione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,4-thiadiazolidine-2,5-dithione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,4-thiadiazolidine-2,5-dithione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)

> <PUBCHEM_IUPAC_INCHIKEY>
BIGYLAKFCGVRAN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
149.93801159

> <PUBCHEM_MOLECULAR_FORMULA>
C2H2N2S3

> <PUBCHEM_MOLECULAR_WEIGHT>
150.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=S)NNC(=S)S1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=S)NNC(=S)S1

> <PUBCHEM_CACTVS_TPSA>
114

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
149.93801159

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  6  8
1  7  8
4  5  8
4  6  8
5  7  8

$$$$