Mrv0541 02241205192D          

 17 16  0  0  0  0            999 V2000
   -1.4289   -5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.1118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.3493    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.1118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.5243    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.1118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.3493    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.1118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1460

> <DATABASE_NAME>
t3db

> <SMILES>
CCN(CC)C(=S)S[Zn]SC(=S)N(CC)CC

> <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_AVERAGE_POLARIZABILITY>
34.07930682925462

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
bis[(diethylcarbamothioyl)sulfanyl]zinc

> <ALOGPS_LOGP>
3.92

> <JCHEM_LOGP>
3.1052000000000004

> <ALOGPS_LOGS>
-4.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
88.23519999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.46e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis[(diethylcarbamothioyl)sulfanyl]zinc

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1460

> <NAME>
Zinc diethyldithiocarbamate

> <CAS>
14324-55-1

> <SYNONYMS>
Accelerator ez powder; Ancazate et; Bis(diethylcarbamodithioato-s,s') zinc; Bis(diethyldithiocarbamato)zinc; Carbamodithioic acid, diethyl-, zinc salt; Diethyldithiocarbamic acid zinc salt; Etazin; Ethasan; Ethazate; Ethyl cymate; Ethyl ziram; Ethylzimate; Hermat ZDK; Nocceler ez; Octocure ZDE-50; Perkacit zdec; Soxinol ez; Vulcacure; Vulcacure ze; Vulkacit lda; Vulkacit ZDK; ZDC; ZDEC; Zimate, ethyl; Zinc bis(diethyldithiocarbamate); Zinc bis(n,n-diethyldithiocarbamate); Zinc diethylcarbamodithioate; Zinc diethyldithiocarbamic acid; Zinc n,n-diethyldithiocarbamate

> <TYPES>
Organic Compound; Amine; Zinc Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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