79828
  -OEChem-11232513182D

 12 11  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
79828

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
17.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAAABwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAQAAAAAAAAAAACCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(methyltetrasulfanyl)methane

> <PUBCHEM_IUPAC_CAS_NAME>
(methyltetrasulfanyl)methane

> <PUBCHEM_IUPAC_NAME_MARKUP>
(methyltetrasulfanyl)methane

> <PUBCHEM_IUPAC_NAME>
(methyltetrasulfanyl)methane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(methyltetrasulfanyl)methane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(methyltetrasulfanyl)methane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
NPNIZCVKXVRCHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
157.93523489

> <PUBCHEM_MOLECULAR_FORMULA>
C2H6S4

> <PUBCHEM_MOLECULAR_WEIGHT>
158.3

> <PUBCHEM_SMILES>
CSSSSC

> <PUBCHEM_CONNECTIVITY_SMILES>
CSSSSC

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
157.93523489

> <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

$$$$
