Mrv0541 08251413512D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ba  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
M  CHG  2   1   2   2  -2
M  END
> <DATABASE_ID>
T3D1123

> <DATABASE_NAME>
t3db

> <SMILES>
[S--].[Ba++]

> <INCHI_IDENTIFIER>
InChI=1S/Ba.S/q+2;-2

> <INCHI_KEY>
CJDPJFRMHVXWPT-UHFFFAOYSA-N

> <FORMULA>
BaS

> <MOLECULAR_WEIGHT>
169.392

> <EXACT_MASS>
169.877311963

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium(2+) ion sulfanediide

> <JCHEM_LOGP>
-0.2

> <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

> <JCHEM_TRADITIONAL_IUPAC>
barium(2+) ion sulfanediide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1123

> <NAME>
Barium sulfide

> <CAS>
21109-95-5

> <SYNONYMS>
Barium polysulfide; Barium sulfide (ba(SX)); Barium sulfide (bas); Barium sulphide; Bariumsulfid; BAS; Neopol; Polybarit; [bas]

> <TYPES>
Inorganic Compound; Barium Compound; Industrial/Workplace Toxin; Natural Compound

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