Mrv0541 02241204222D          

 15  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8839    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.6500    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464   -1.6500    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    3.7714   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179   -1.6500    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    7.5429   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3679   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.3000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
M  CHG  7   1   1   2   1   3   2   4  -1   7  -1  10  -1  13  -1
M  END
> <DATABASE_ID>
T3D0356

> <DATABASE_NAME>
t3db

> <SMILES>
[K+].[K+].[Hg++].[S-]C#N.[S-]C#N.[S-]C#N.[S-]C#N

> <INCHI_IDENTIFIER>
InChI=1S/4CHNS.Hg.2K/c4*2-1-3;;;/h4*3H;;;/q;;;;+2;2*+1/p-4

> <INCHI_KEY>
HWXOCCNUUYRBKP-UHFFFAOYSA-J

> <FORMULA>
C4HgK2N4S4

> <MOLECULAR_WEIGHT>
511.12

> <EXACT_MASS>
511.798618106

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
4.748552853899979

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
mercury(2+) ion dipotassium tetrakis(cyanosulfanide)

> <JCHEM_LOGP>
0.5057528946666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.49709613151900633

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
16.0894

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
mercury(2+) ion dipotassium tetrathiocyanate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0356

> <NAME>
Mercury(II) thiocyanate

> <CAS>
592-85-8

> <SYNONYMS>
Mercuric sulfocyanate; Mercuric thiocyanate; Mercury(II) thiocyanic acid

> <TYPES>
Inorganic Compound; Mercury Compound; Cyanide Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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