Chem Zinc Dibenzyldithiocarbamate

Compound 1
  CheckMol                        TMF02:r0:m0
MF=C30H32N2S4Zn MW=614.22
 37 38  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4982    0.6618   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.8036   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555   -1.3000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4082   -1.7609   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8265   -1.2409   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1601   -3.2264   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0983    0.2482   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7655   -3.7228   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.9637    1.2291   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.5165    0.7682   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5173   -5.1883   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.6309   -2.7419   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2355    2.7182   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7883    2.2573   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.1227   -5.6846   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2364   -3.2382   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6537    3.2382   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.0118   -4.7037   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3637   -2.4582   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1082   -1.1464   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519    0.1655   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973   -1.1346   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -2.4228   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    0.1773   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5737   -3.7110   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5737    1.4891   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0610   -3.6991   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.3064   -4.9992   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.3183    2.8010   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0610    1.5009   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2928   -4.9873   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5383   -6.2874   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5619    4.1128   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3046    2.8128   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0373   -6.2755   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0491    4.1246   -0.0000 C   0 00  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 02  0  1  0  0
  8 11 01  0  1  0  0
  9 12 02  0  1  0  0
  9 13 01  0  1  0  0
 10 14 01  0  1  0  0
 11 15 02  0  1  0  0
 12 16 01  0  1  0  0
 13 17 02  0  1  0  0
 14 18 02  0  1  0  0
 16 19 02  0  1  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28 02  0  1  0  0
 26 29 01  0  1  0  0
 27 30 02  0  1  0  0
 27 31 01  0  1  0  0
 28 32 01  0  1  0  0
 29 33 02  0  1  0  0
 30 34 01  0  1  0  0
 31 35 02  0  1  0  0
 32 36 02  0  1  0  0
 34 37 02  0  1  0  0
 15 18 01  0  1  0  0
 17 19 01  0  1  0  0
 33 36 01  0  1  0  0
 35 37 01  0  1  0  0
M  CHG  1   1   2
M  CHG  1   4  -1
M  CHG  1  22  -1
M  END

Zinc Dibenzyldithiocarbamate

₹ 0.00 0.00

Chemical Name - Zinc Dibenzyldithiocarbamate
Mol Weight - 272.415
Smiles - [S-]C(N(Cc1ccccc1)Cc1ccccc1)=S.[S-]C(N(Cc1ccccc1)Cc1ccccc1)=S.[Zn+2]

Property Name	Property Value
Mol Name	Zinc Dibenzyldithiocarbamate
Molweight	272.415
Monoisotopic Mass	272.056764
Clogp	3.6347
Clogs	-4.176
H Acceptors	1
Total Surface Area	196.8
Relative Psa	0.16032
Polar Surface Area	35.33
Druglikeness	1.502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61111
Molecular Flexibility	0.5737
Molecular Complexity	0.51585
Fragments	3
Non H Atoms	18
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	9
Smiles	[S-]C(N(Cc1ccccc1)Cc1ccccc1)=S.[S-]C(N(Cc1ccccc1)Cc1ccccc1)=S.[Zn+2]
InChIKey	InChI=1S/2C15H15NS2.Zn/c217-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h21-10H,11-12H2,(H,17,18);/q;;+2/p-2
InChI	AUMBZPPBWALQRO-UHFFFAOYSA-L

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1 - Zinc Dibenzyldithiocarbamate
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Zinc Dibenzyldithiocarbamate