9322
  -OEChem-05122404572D

  3  2  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 N   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
  1  3  1  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  1   1  -1
M  END
> <PUBCHEM_COMPOUND_CID>
9322

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
31.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
thiocyanate

> <PUBCHEM_IUPAC_CAS_NAME>
thiocyanate

> <PUBCHEM_IUPAC_NAME_MARKUP>
thiocyanate

> <PUBCHEM_IUPAC_NAME>
thiocyanate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
thiocyanate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
thiocyanate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CHNS/c2-1-3/h3H/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
ZMZDMBWJUHKJPS-UHFFFAOYSA-M

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
57.97514518

> <PUBCHEM_MOLECULAR_FORMULA>
CNS-

> <PUBCHEM_MOLECULAR_WEIGHT>
58.08

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)[S-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)[S-]

> <PUBCHEM_CACTVS_TPSA>
24.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
57.97514518

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$