Mrv1572004221603082D          

 25 22  0  0  0  0            999 V2000
   -2.9678   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2533   -0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0335   -0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3190   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8244   -0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046   -0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    0.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099   -0.2538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8244    0.9837    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046    0.9837    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    5.1051   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8209   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1064   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5340   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3919   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2485   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6775   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9630    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9630   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6775    1.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2485    1.1000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    1.3190    1.3962    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  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
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  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
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 22 19  1  0  0  0  0
 22 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
M  CHG  3  12  -1  24  -1  25   2
M  END
> <DATABASE_ID>
CHEM010045

> <DATABASE_NAME>
chemdb

> <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_POLARIZABILITY>
24.228070690751345

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
6.65

> <JCHEM_LOGP>
3.9416428499999996

> <ALOGPS_LOGS>
-5.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9998506746994558

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
64.00789999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.76e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion bis((dibutylcarbamothioyl)sulfanide)

> <JCHEM_VEBER_RULE>
0

> <NAME>
Zinc dibutyldithiocarbamate

> <CAS>
136-23-2

$$$$