Mrv0541 02241205202D          

  5  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    2.1214    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
    1.0018   -1.6500    0.0000 S   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1   3   2   3   3  -2   4  -2   5  -2
M  END
> <DATABASE_ID>
T3D1524

> <DATABASE_NAME>
t3db

> <SMILES>
[Al+3].[Al+3].[S--].[S--].[S--]

> <INCHI_IDENTIFIER>
InChI=1S/2Al.3S/q2*+3;3*-2

> <INCHI_KEY>
COOGPNLGKIHLSK-UHFFFAOYSA-N

> <FORMULA>
Al2S3

> <MOLECULAR_WEIGHT>
150.158

> <EXACT_MASS>
149.879288952

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) ion trisulfanediide

> <JCHEM_LOGP>
1.4499999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dialuminium(3+) ion trisulfanediide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1524

> <NAME>
Aluminium sulfide

> <CAS>
1302-81-4

> <SYNONYMS>
Aluminium sulphide; Aluminum selenide; Aluminum sulfide (Al2S3); Aluminum sulfide, tech; Dialuminium trisulphide

> <TYPES>
Inorganic Compound; Aluminum Compound; Industrial/Workplace Toxin; Synthetic Compound

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