Mrv0541 08251413512D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cd  0  2  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 S   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 S   0  6  0  0  0  0  0  0  0  0  0  0
    1.1196   -1.6500    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1   2   2  -2   3  -2   4   2
M  END
> <DATABASE_ID>
T3D1373

> <DATABASE_NAME>
t3db

> <SMILES>
[S--].[S--].[Zn++].[Cd++]

> <INCHI_IDENTIFIER>
InChI=1S/Cd.2S.Zn/q+2;2*-2;+2

> <INCHI_KEY>
UQMZPFKLYHOJDL-UHFFFAOYSA-N

> <FORMULA>
CdS2Zn

> <MOLECULAR_WEIGHT>
241.95

> <EXACT_MASS>
241.776646079

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cadmium(2+) ion zinc(2+) ion disulfanediide

> <ALOGPS_LOGP>
0.89

> <JCHEM_LOGP>
-0.07

> <ALOGPS_LOGS>
-1.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cadmium(2+) ion zinc(2+) ion disulfanediide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1373

> <NAME>
Zinc cadmium sulfide

> <CAS>
68583-45-9

> <SYNONYMS>
ZnCdS

> <TYPES>
Inorganic Compound; Cadmium Compound; Zinc Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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