Mrv1572004191604132D          

  7  4  0  0  0  0            999 V2000
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.5395    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    1.0164    0.7145    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.3020    0.3020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.1105    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.7309    1.1270    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  5  4  1  0  0  0  0
M  CHG  4   3  -1   4  -1   6   1   7   1
M  END
> <DATABASE_ID>
CHEM014852

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/CH2S4.2Na/c2-1(3)5-4;;/h4H,(H,2,3);;/q;2*+1/p-2

> <INCHI_KEY>
HZBLLTXMVMMHRJ-UHFFFAOYSA-L

> <FORMULA>
CNa2S4

> <MOLECULAR_WEIGHT>
186.23

> <EXACT_MASS>
185.86782326

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
12.35225307356983

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium [(sulfanidylmethanethioyl)sulfanyl]sulfanide

> <ALOGPS_LOGP>
1.62

> <JCHEM_LOGP>
2.7613481996666662

> <ALOGPS_LOGS>
-2.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.56619075226878

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.172122253336155

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
39.5946

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.89e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
disodium [(sulfanidylmethanethioyl)sulfanyl]sulfanide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Carbono(dithioperoxo)dithioic acid, sodium salt (1:2)

> <CAS>
7345-69-9

$$$$