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Titanium (IV) Oxysulfate Hydrate

CAT: 0127-IN12172Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
13825-74-6
MDL Number
MFCD00149873
Purity
29% Ti (as TiO2) basis
Smiles
O=S(=O)([O-])[O-].O.[Ti+2]

Chemical Information

Titanium oxysulfate

See also: Titanium (has active moiety).

CAS Number13825-74-6
PubChem CID10419459
IUPAC Nameoxygen(2-);titanium(4+);sulfate
Molecular FormulaO5STi
Molecular Weight159.93
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
[O-2].[O-]S(=O)(=O)[O-].[Ti+4]
InChI
InChI=1S/H2O4S.O.Ti/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;-2;+4/p-2
InChIKey
DCKVFVYPWDKYDN-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Titanium oxysulfate
CAS: 13825-74-6
CID: 10419459
Formula: O5STi
MW: 159.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.93
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass159.8945849
Monoisotopic Mass159.8945849
Topological Polar Surface Area89.6 Ų
Heavy Atom Count7
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 Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-251259Titanium (IV) oxysulfate
sc-237122ATitanium (IV) oxysulfate - sulfuric acid
36117-22Vanadium (IV) Oxysulfate
GK5886-2kgTitanium (IV) isopropoxide
abx186048Titanium(IV) chloride
sc-251257Titanium (IV) ethoxide
sc-255664ATitanium (IV) oxide
sc-251260Titanium (IV) propoxide
90027207-100gTitanium (IV) chloride
GX5233-2kgTitanium(IV) isopropoxide

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