Mrv1572004191602032D          

 12  4  0  0  0  0            999 V2000
    0.0000    1.6500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    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
    0.0000   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  3  1  0  0  0  0
  7  4  1  0  0  0  0
  7  5  2  0  0  0  0
  7  6  2  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <DATABASE_ID>
DBSALT002505

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2

> <INCHI_KEY>
PODWXQQNRWNDGD-UHFFFAOYSA-L

> <FORMULA>
H10Na2O8S2

> <MOLECULAR_WEIGHT>
248.17

> <EXACT_MASS>
247.96124819

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
7.76473186802316

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium 1-oxo-1λ⁶-disulfene-1,1-bis(olate) pentahydrate

> <JCHEM_LOGP>
0.04831756099999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6989700043360183

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
19.5183

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium Hypo pentahydrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002505

> <NAME>
Sodium thiosulfate pentahydrate

> <DRUG_DRUGBANK_ID>
DB09499

> <DRUG_NAME>
Thiosulfuric acid

> <CAS_NUMBER>
10102-17-7

> <UNII>
HX1032V43M

$$$$