hydron;titanium(4+);sulfate

HO4STi+3 — CID 173494921

IUPAChydron;titanium(4+);sulfate
SMILESO=S(=O)([O-])[O-].[H+].[Ti+4]
InChIInChI=1S/H2O4S.Ti/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+4/p-1
InChIKeyGNNYZTJMRMKFMQ-UHFFFAOYSA-M
MW144.94 g/mol
LogP-1.23
Rot. Bonds

About hydron;titanium(4+);sulfate

hydron;titanium(4+);sulfate (PubChem CID 173494921) has the molecular formula HO4STi+3 and a molecular weight of 144.94 g/mol. Its IUPAC name is hydron;titanium(4+);sulfate.

Molecular Properties

Compound Namehydron;titanium(4+);sulfate
PubChem CID173494921
Molecular FormulaHO4STi+3
Molecular Weight144.94 g/mol
Exact Mass144.91
IUPAC Namehydron;titanium(4+);sulfate
SMILESO=S(=O)([O-])[O-].[H+].[Ti+4]
InChIInChI=1S/H2O4S.Ti/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+4/p-1
InChIKeyGNNYZTJMRMKFMQ-UHFFFAOYSA-M
XLogP-1.23
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.94
LogP ≤ 5-1.23
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
bis(oxygen(2-));bis(titanium(4+));sulfate
CID 160596122
hydron;thallium(1+);sulfate
CID 22764822
iron(2+);titanium(4+);disulfate
CID 159574428
hexadecasilver;octasulfate
CID 174664647
zinc;hydron;hydroxide;sulfate
CID 155290416
silver;zinc;sulfate
CID 157447446
dilithium;cobalt;sulfate
CID 174060420
dicalcium;sulfate
CID 23431966
tris(vanadium);pentasulfate
CID 173042063
octaazanium;tetrasulfate
CID 86742620
CID 23615458
CID 23615458

Frequently Asked Questions

What is the IUPAC name of hydron;titanium(4+);sulfate?
The IUPAC name of hydron;titanium(4+);sulfate (CID 173494921) is hydron;titanium(4+);sulfate.
What is the SMILES notation for hydron;titanium(4+);sulfate?
The canonical SMILES for hydron;titanium(4+);sulfate is O=S(=O)([O-])[O-].[H+].[Ti+4].
What is the InChIKey of hydron;titanium(4+);sulfate?
The InChIKey is GNNYZTJMRMKFMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O4S.Ti/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+4/p-1.
What are the key properties of hydron;titanium(4+);sulfate?
hydron;titanium(4+);sulfate has a molecular weight of 144.94 g/mol, XLogP of -1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;titanium(4+);sulfate is sourced from PubChem (CID 173494921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).