Mrv1909 03072017072D          

 17 14  0  0  0  0            999 V2000
    0.0977   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5087   -0.7186    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.5087    0.7186    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7243   -0.0015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1413    0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1413   -0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9663    0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9663   -0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112    1.2012    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    0.0528    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639    1.7656    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.4639    3.2029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7692    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    3.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112    3.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112    1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
M  CHG  3   2  -1   9   2  11  -1
M  END
> <DATABASE_ID>
DB14193

> <DATABASE_NAME>
drugbank

> <SMILES>
[Zn++].CCN(CC)C([S-])=S.CCN(CC)C([S-])=S

> <INCHI_IDENTIFIER>
InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2

> <INCHI_KEY>
RKQOSDAEEGPRER-UHFFFAOYSA-L

> <FORMULA>
C10H20N2S4Zn

> <MOLECULAR_WEIGHT>
361.948

> <EXACT_MASS>
359.980077988

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.999989977000053

> <JCHEM_AVERAGE_POLARIZABILITY>
16.007402381391543

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
zinc(2+) bis((diethylcarbamothioyl)sulfanide)

> <ALOGPS_LOGP>
3.92

> <JCHEM_LOGP>
2.0074607299999996

> <ALOGPS_LOGS>
-4.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.001002081018951

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
45.7579

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.46e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lugol's iodine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14193

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ditiocarb zinc

> <SYNONYMS>
Bis(diethyldithiocarbamato)zinc; DEDTC; Diethyldithiocarbamic acid zinc salt; Ethazate; Ethyl cymate; Ethyl zimate; Ethyl Ziram; Ethylzimate; Zinc Diethyldithiocarbamate; Zinc N,N-diethyldithiocarbamate; Zinc, bis(diethylcarbamodithioato-S,S')-

> <PRODUCTS>
T.R.U.E. Test Thin-Layer Rapid Use Patch Test

$$$$