tripotassium;titanium(2+);sulfate

K3O4STi+3 — CID 19377241

IUPACtripotassium;titanium(2+);sulfate
SMILESO=S(=O)([O-])[O-].[K+].[K+].[K+].[Ti+2]
InChIInChI=1S/3K.H2O4S.Ti/c;;;1-5(2,3)4;/h;;;(H2,1,2,3,4);/q3*+1;;+2/p-2
InChIKeyMOLUHSBJEHQXFK-UHFFFAOYSA-L
MW261.22 g/mol
LogP-10.33
Rot. Bonds

About tripotassium;titanium(2+);sulfate

tripotassium;titanium(2+);sulfate (PubChem CID 19377241) has the molecular formula K3O4STi+3 and a molecular weight of 261.22 g/mol. Its IUPAC name is tripotassium;titanium(2+);sulfate.

Molecular Properties

Compound Nametripotassium;titanium(2+);sulfate
PubChem CID19377241
Molecular FormulaK3O4STi+3
Molecular Weight261.22 g/mol
Exact Mass260.79
IUPAC Nametripotassium;titanium(2+);sulfate
SMILESO=S(=O)([O-])[O-].[K+].[K+].[K+].[Ti+2]
InChIInChI=1S/3K.H2O4S.Ti/c;;;1-5(2,3)4;/h;;;(H2,1,2,3,4);/q3*+1;;+2/p-2
InChIKeyMOLUHSBJEHQXFK-UHFFFAOYSA-L
XLogP-10.33
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 5-10.33
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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Frequently Asked Questions

What is the IUPAC name of tripotassium;titanium(2+);sulfate?
The IUPAC name of tripotassium;titanium(2+);sulfate (CID 19377241) is tripotassium;titanium(2+);sulfate.
What is the SMILES notation for tripotassium;titanium(2+);sulfate?
The canonical SMILES for tripotassium;titanium(2+);sulfate is O=S(=O)([O-])[O-].[K+].[K+].[K+].[Ti+2].
What is the InChIKey of tripotassium;titanium(2+);sulfate?
The InChIKey is MOLUHSBJEHQXFK-UHFFFAOYSA-L. The full InChI is InChI=1S/3K.H2O4S.Ti/c;;;1-5(2,3)4;/h;;;(H2,1,2,3,4);/q3*+1;;+2/p-2.
What are the key properties of tripotassium;titanium(2+);sulfate?
tripotassium;titanium(2+);sulfate has a molecular weight of 261.22 g/mol, XLogP of -10.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;titanium(2+);sulfate is sourced from PubChem (CID 19377241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).