Chem Nickel Dibutyldithiocarbamate

Compound 3
  CheckMol                        TMF02:r0:m0
MF=C18H39N2NiS4 MW=470.46
 25 22  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2558    0.2837   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5229   -1.0048   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.9930   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2794   -2.2934   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7926   -2.2816   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5465   -3.5820   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5492   -0.9694   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0570   -3.5701   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0624   -0.9576   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240   -4.8587   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8190    0.3546   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -4.8469   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992   -2.1752   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4874   -0.6620   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1752    0.1064   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7760    0.0946   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0645   -0.6384   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7641    1.6077   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527   -2.1279   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4519    2.3762   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3413   -2.8608   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4401    3.8893   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3294   -4.3504   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    4.6459   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  1   1   2
M  CHG  1   4  -1
M  CHG  1  16  -1
M  END

Nickel Dibutyldithiocarbamate

₹ 0.00 0.00

Chemical Name - Nickel Dibutyldithiocarbamate
Mol Weight - 204.381
Smiles - CCCCN(CCCC)C([S-])=S.CCCCN(CCCC)C([S-])=S.[Ni+2]

Property Name	Property Value
Mol Name	Nickel Dibutyldithiocarbamate
Molweight	204.381
Monoisotopic Mass	204.088064
Clogp	3.4287
Clogs	-3.21
H Acceptors	1
Total Surface Area	156.84
Relative Psa	0.20116
Polar Surface Area	35.33
Druglikeness	0.21961
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.75
Molecular Flexibility	0.76194
Molecular Complexity	0.47958
Fragments	3
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	6
Sp3 Atoms	10
Symmetric Atoms	4
Smiles	CCCCN(CCCC)C([S-])=S.CCCCN(CCCC)C([S-])=S.[Ni+2]
InChIKey	InChI=1S/2C9H19NS2.Ni/c21-3-5-7-10(9(11)12)8-6-4-2;/h23-8H2,1-2H3,(H,11,12);/q;;+2/p-2
InChI	HPOWMHUJHHIQGP-UHFFFAOYSA-L

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Nickel Dibutyldithiocarbamate