23690432
  -OEChem-11242522242D

 10  8  0     0  0  0  0  0  0999 V2000
    5.4641   -0.0600    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23690432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
46.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCAABgQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAQQAAAAAAAAAAQCAALAAAAEAAAAAAAAAAAAAAkAAIAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium N-methylcarbamodithioate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium N-methylcarbamodithioate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium <I>N</I>-methylcarbamodithioate

> <PUBCHEM_IUPAC_NAME>
potassium N-methylcarbamodithioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium N-methylcarbamodithioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium N-methylcarbamodithioate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
DQRQIQZHRCRSDB-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
144.94222296

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4KNS2

> <PUBCHEM_MOLECULAR_WEIGHT>
145.29

> <PUBCHEM_SMILES>
CNC(=S)[S-].[K+]

> <PUBCHEM_CONNECTIVITY_SMILES>
CNC(=S)[S-].[K+]

> <PUBCHEM_CACTVS_TPSA>
45.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
144.94222296

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
