zinc;trichloroalumane;sulfate

AlCl3O4SZn — CID 174566235

IUPACzinc;trichloroalumane;sulfate
SMILESCl[Al](Cl)Cl.O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/Al.3ClH.H2O4S.Zn/c;;;;1-5(2,3)4;/h;3*1H;(H2,1,2,3,4);/q+3;;;;;+2/p-5
InChIKeyGUCDVKHGQRPPEX-UHFFFAOYSA-I
MW294.79 g/mol
LogP0.35
Rot. Bonds

About zinc;trichloroalumane;sulfate

zinc;trichloroalumane;sulfate (PubChem CID 174566235) has the molecular formula AlCl3O4SZn and a molecular weight of 294.79 g/mol. Its IUPAC name is zinc;trichloroalumane;sulfate.

Molecular Properties

Compound Namezinc;trichloroalumane;sulfate
PubChem CID174566235
Molecular FormulaAlCl3O4SZn
Molecular Weight294.79 g/mol
Exact Mass291.77
IUPAC Namezinc;trichloroalumane;sulfate
SMILESCl[Al](Cl)Cl.O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/Al.3ClH.H2O4S.Zn/c;;;;1-5(2,3)4;/h;3*1H;(H2,1,2,3,4);/q+3;;;;;+2/p-5
InChIKeyGUCDVKHGQRPPEX-UHFFFAOYSA-I
XLogP0.35
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 zinc;trichloroalumane;sulfate?
The IUPAC name of zinc;trichloroalumane;sulfate (CID 174566235) is zinc;trichloroalumane;sulfate.
What is the SMILES notation for zinc;trichloroalumane;sulfate?
The canonical SMILES for zinc;trichloroalumane;sulfate is Cl[Al](Cl)Cl.O=S(=O)([O-])[O-].[Zn+2].
What is the InChIKey of zinc;trichloroalumane;sulfate?
The InChIKey is GUCDVKHGQRPPEX-UHFFFAOYSA-I. The full InChI is InChI=1S/Al.3ClH.H2O4S.Zn/c;;;;1-5(2,3)4;/h;3*1H;(H2,1,2,3,4);/q+3;;;;;+2/p-5.
What are the key properties of zinc;trichloroalumane;sulfate?
zinc;trichloroalumane;sulfate has a molecular weight of 294.79 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;trichloroalumane;sulfate is sourced from PubChem (CID 174566235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).