Mrv0541 02241215462D          

  7  4  0  0  0  0            999 V2000
   -0.9483   -0.1646    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.6083   -0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -0.0004    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6083    0.8246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6083   -0.0004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333   -0.0004    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.1646    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  4   1   1   3  -1   6  -1   7   1
M  END
> <DATABASE_ID>
DBSALT002504

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
AKHNMLFCWUSKQB-UHFFFAOYSA-L

> <FORMULA>
Na2O3S2

> <MOLECULAR_WEIGHT>
158.108

> <EXACT_MASS>
157.908424596

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.090859093408966

> <JCHEM_AVERAGE_POLARIZABILITY>
7.764731869616171

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium 1-oxo-1lambda6-disulfene-1,1-bis(olate)

> <JCHEM_LOGP>
0.04831756099999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <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>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002504

> <NAME>
Sodium thiosulfate

> <DRUG_DRUGBANK_ID>
DB09499

> <DRUG_NAME>
Thiosulfuric acid

> <CAS_NUMBER>
7772-98-7

> <UNII>
L0IYT1O31N

$$$$