10788
  -OEChem-04162401042D

 19 19  0     1  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
    4.5981   -1.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10788

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
126

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjAABgAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAFAQAAAAAAAAAAASDAAMAAAgEAAAAAAAAAABAAAgAAAAIAACAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,5-dimethyl-1,3,5-thiadiazinane-2-thione

> <PUBCHEM_IUPAC_CAS_NAME>
3,5-dimethyl-1,3,5-thiadiazinane-2-thione

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,5-dimethyl-1,3,5-thiadiazinane-2-thione

> <PUBCHEM_IUPAC_NAME>
3,5-dimethyl-1,3,5-thiadiazinane-2-thione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,5-dimethyl-1,3,5-thiadiazinane-2-thione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,5-dimethyl-1,3,5-thiadiazinane-2-thione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
QAYICIQNSGETAS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
162.02854067

> <PUBCHEM_MOLECULAR_FORMULA>
C5H10N2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
162.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CN(C(=S)SC1)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CN(C(=S)SC1)C

> <PUBCHEM_CACTVS_TPSA>
63.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
162.02854067

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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

$$$$