bis(oxygen(2-));bis(titanium(4+));sulfate

O6STi2+2 — CID 160596122

IUPACbis(oxygen(2-));bis(titanium(4+));sulfate
SMILESO=S(=O)([O-])[O-].[O-2].[O-2].[Ti+4].[Ti+4]
InChIInChI=1S/H2O4S.2O.2Ti/c1-5(2,3)4;;;;/h(H2,1,2,3,4);;;;/q;2*-2;2*+4/p-2
InChIKeyRDQRCVXXPZFRPP-UHFFFAOYSA-L
MW223.79 g/mol
LogP-1.58
Rot. Bonds

About bis(oxygen(2-));bis(titanium(4+));sulfate

bis(oxygen(2-));bis(titanium(4+));sulfate (PubChem CID 160596122) has the molecular formula O6STi2+2 and a molecular weight of 223.79 g/mol. Its IUPAC name is bis(oxygen(2-));bis(titanium(4+));sulfate.

Molecular Properties

Compound Namebis(oxygen(2-));bis(titanium(4+));sulfate
PubChem CID160596122
Molecular FormulaO6STi2+2
Molecular Weight223.79 g/mol
Exact Mass223.84
IUPAC Namebis(oxygen(2-));bis(titanium(4+));sulfate
SMILESO=S(=O)([O-])[O-].[O-2].[O-2].[Ti+4].[Ti+4]
InChIInChI=1S/H2O4S.2O.2Ti/c1-5(2,3)4;;;;/h(H2,1,2,3,4);;;;/q;2*-2;2*+4/p-2
InChIKeyRDQRCVXXPZFRPP-UHFFFAOYSA-L
XLogP-1.58
TPSA137.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

bis(oxygen(2-));tris(titanium(4+));tetrasulfate
CID 173292804
hydron;titanium(4+);sulfate
CID 173494921
bis(chromium(3+));tris(oxygen(2-));sulfate
CID 131710712
iron(2+);titanium(4+);disulfate
CID 159574428
hexadecasilver;octasulfate
CID 174664647
tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate
CID 139047237
trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate
CID 173307305
azanium;iron(3+);oxygen(2-);sulfate
CID 160689696
azanium sulfate
CID 21225610
dicalcium;sulfate
CID 23431966
tris(vanadium);pentasulfate
CID 173042063
dilithium;cobalt;sulfate
CID 174060420

Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));bis(titanium(4+));sulfate?
The IUPAC name of bis(oxygen(2-));bis(titanium(4+));sulfate (CID 160596122) is bis(oxygen(2-));bis(titanium(4+));sulfate.
What is the SMILES notation for bis(oxygen(2-));bis(titanium(4+));sulfate?
The canonical SMILES for bis(oxygen(2-));bis(titanium(4+));sulfate is O=S(=O)([O-])[O-].[O-2].[O-2].[Ti+4].[Ti+4].
What is the InChIKey of bis(oxygen(2-));bis(titanium(4+));sulfate?
The InChIKey is RDQRCVXXPZFRPP-UHFFFAOYSA-L. The full InChI is InChI=1S/H2O4S.2O.2Ti/c1-5(2,3)4;;;;/h(H2,1,2,3,4);;;;/q;2*-2;2*+4/p-2.
What are the key properties of bis(oxygen(2-));bis(titanium(4+));sulfate?
bis(oxygen(2-));bis(titanium(4+));sulfate has a molecular weight of 223.79 g/mol, XLogP of -1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));bis(titanium(4+));sulfate is sourced from PubChem (CID 160596122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).