Mrv0541 02241205432D          

 12  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4786   -2.4750    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  CHG  8   1   2   2   2   3  -1   5  -1   6  -1   8  -1  10  -1  11  -1
M  END
> <DATABASE_ID>
T3D1471

> <DATABASE_NAME>
t3db

> <SMILES>
[Zn++].[Zn++].[O-]P([O-])([S-])=S.[O-]P([O-])([S-])=S

> <INCHI_IDENTIFIER>
InChI=1S/2H3O2PS2.2Zn/c2*1-3(2,4)5;;/h2*(H3,1,2,4,5);;/q;;2*+2/p-6

> <INCHI_KEY>
IDEAMCZORKWATR-UHFFFAOYSA-H

> <FORMULA>
O4P2S4Zn2

> <MOLECULAR_WEIGHT>
385.023

> <EXACT_MASS>
381.673757428

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
9.023510143571054

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dizinc(2+) ion disulfanidylphosphonothioate

> <JCHEM_LOGP>
0.6153467813333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.4496181891073245

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3580408482878195

> <JCHEM_POLAR_SURFACE_AREA>
46.12

> <JCHEM_REFRACTIVITY>
27.2686

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dizinc(2+) ion disulfanidylphosphonothioate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1471

> <NAME>
Zinc dithiophosphate

> <CAS>
19210-06-1

> <SYNONYMS>
Phosphorodithioic acid, zinc salt; Zinc dithiophosphic acid

> <TYPES>
Inorganic Compound; Zinc Compound; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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