Mrv1652306061823132D          

  6  5  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D0732

> <DATABASE_NAME>
t3db

> <SMILES>
OS(=O)S(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H2O4S2/c1-5(2)6(3)4/h(H,1,2)(H,3,4)

> <INCHI_KEY>
GRWZHXKQBITJKP-UHFFFAOYSA-N

> <FORMULA>
H2O4S2

> <MOLECULAR_WEIGHT>
130.143

> <EXACT_MASS>
129.939449932

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
9.003346057349795

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sulfinosulfinic acid

> <JCHEM_LOGP>
-1.5210183786666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6989700043360187

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
19.526600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dithionous acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0732

> <NAME>
Zinc dithionite

> <CAS>
7779-86-4

> <SYNONYMS>
Dithionous acid, zinc salt (1:1); Tetrakis(monothiosulfato(2-))di-Zincate(4-); Zinc hydrosulfite; Zinc hyposulfite; Zinc hyposulphite; ZnS2O4

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

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