Mrv1909 03072016582D          

 25 22  0  0  0  0            999 V2000
   -1.6340    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407    0.6281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272    0.6281    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6340    1.8454    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407   -0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6732   -1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0474    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5003    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2070    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6340    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    0.6281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273    0.6281    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    1.6340    1.8454    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6340   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733   -1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0868    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5003    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0246    1.2428    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 16 13  2  0  0  0  0
 15 13  1  0  0  0  0
 14 13  1  0  0  0  0
 17 14  1  0  0  0  0
 21 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  CHG  3   3  -1  15  -1  25   2
M  END
> <DATABASE_ID>
DB14194

> <DATABASE_NAME>
drugbank

> <SMILES>
[Zn++].CCCCN(CCCC)C([S-])=S.CCCCN(CCCC)C([S-])=S

> <INCHI_IDENTIFIER>
InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2

> <INCHI_KEY>
BOXSVZNGTQTENJ-UHFFFAOYSA-L

> <FORMULA>
C18H36N2S4Zn

> <MOLECULAR_WEIGHT>
474.12

> <EXACT_MASS>
472.105276

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9999900035376813

> <JCHEM_AVERAGE_POLARIZABILITY>
24.23879178817971

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
6.65

> <JCHEM_LOGP>
3.9416428499999996

> <ALOGPS_LOGS>
-5.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9998506746994558

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
64.0079

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.76e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lugol's iodine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14194

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Zinc dibutyldithiocarbamate

> <SYNONYMS>
(T-4)-bis(dibutylcarbamodithioato-κS,κS')zinc; bis(dibutyldithiocarbamato)zinc; dibutyldithiocarbamate zinc salt; zinc bis(dibutyldithiocarbamate); zinc bis(dibutyldithiocarbamoyl)disulfide; zinc bis(dibutyldithiocarbamoyl)disulphide; zinc bis(dibutylthiocarbamoyl)disulfide

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

$$$$