520409
  -OEChem-11242522372D

 10 10  0     0  0  0  0  0  0999 V2000
    2.8660   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -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
    3.9441   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
520409

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
26.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAAABwAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAEAQAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,4,5-tetrathiane

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,4,5-tetrathiane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,4,5-tetrathiane

> <PUBCHEM_IUPAC_NAME>
1,2,4,5-tetrathiane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,4,5-tetrathiane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,4,5-tetrathiane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4S4/c1-3-5-2-6-4-1/h1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
VXTWQLLUXWBOGW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
155.91958482

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4S4

> <PUBCHEM_MOLECULAR_WEIGHT>
156.3

> <PUBCHEM_SMILES>
C1SSCSS1

> <PUBCHEM_CONNECTIVITY_SMILES>
C1SSCSS1

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
155.91958482

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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

$$$$
