Mrv0541 02241220432D          

  8  5  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.8937   -2.3645    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.4812   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8938   -3.7934    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3438   -3.0789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1687   -1.6500    0.0000 N   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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   5  -1
M  END
> <DATABASE_ID>
CHEM004198

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].[Na+].[S-]C([S-])=NC#N

> <INCHI_IDENTIFIER>
InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2

> <INCHI_KEY>
AZDIXEXNLJMBJO-UHFFFAOYSA-L

> <FORMULA>
C2N2Na2S2

> <MOLECULAR_WEIGHT>
162.144

> <EXACT_MASS>
161.92982874

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
9.910142783372077

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium [(cyanoimino)(sulfanidyl)methyl]sulfanide

> <ALOGPS_LOGP>
0.75

> <JCHEM_LOGP>
1.4939341466666665

> <ALOGPS_LOGS>
-0.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.9491647323709005

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.7368353469779465

> <JCHEM_PKA_STRONGEST_BASIC>
-4.00957346046287

> <JCHEM_POLAR_SURFACE_AREA>
36.15

> <JCHEM_REFRACTIVITY>
31.7229

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.03e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
disodium [(cyanoimino)(sulfanidyl)methyl]sulfanide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Disodium cyanodithioimidocarbonate

> <CAS>
138-93-2

> <SYNONYMS>
Disodium cyanodithioimidocarbamate

$$$$