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Barium Sulfate

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CAS Number
7727-43-7
MDL Number
MFCD00003455
Purity
Reagent grade
Smiles
[Ba+2].[O-]S(=O)(=O)[O-]

Chemical Information

Barium Sulfate

Barium sulfate is a metal sulfate with formula BaO4S. Virtually insoluble in water at room temperature, it is mostly used as a component in oil well drilling fluid it occurs naturally as the mineral barite. It has a role as a radioopaque medium. It is an inorganic barium salt, a metal sulfate and a barium salt.

CAS Number7727-43-7
PubChem CID24414
IUPAC Namebarium(2+) sulfate
Molecular FormulaBaO4S
Molecular Weight233.39
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity62
SMILES
[O-]S(=O)(=O)[O-].[Ba+2]
InChI
InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
InChIKey
TZCXTZWJZNENPQ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Barium Sulfate
CAS: 7727-43-7
CID: 24414
Formula: BaO4S
MW: 233.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.39
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass233.856977
Monoisotopic Mass233.856977
Topological Polar Surface Area88.6 Ų
Heavy Atom Count6
Formal Charge0
Complexity62.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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