calcium;zinc;dichloride;sulfate

CaCl2O4SZn — CID 174360768

IUPACcalcium;zinc;dichloride;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/Ca.2ClH.H2O4S.Zn/c;;;1-5(2,3)4;/h;2*1H;(H2,1,2,3,4);/q+2;;;;+2/p-4
InChIKeyCQFJHONCBKUKAP-UHFFFAOYSA-J
MW272.44 g/mol
LogP-7.71
Rot. Bonds

About calcium;zinc;dichloride;sulfate

calcium;zinc;dichloride;sulfate (PubChem CID 174360768) has the molecular formula CaCl2O4SZn and a molecular weight of 272.44 g/mol. Its IUPAC name is calcium;zinc;dichloride;sulfate.

Molecular Properties

Compound Namecalcium;zinc;dichloride;sulfate
PubChem CID174360768
Molecular FormulaCaCl2O4SZn
Molecular Weight272.44 g/mol
Exact Mass269.78
IUPAC Namecalcium;zinc;dichloride;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/Ca.2ClH.H2O4S.Zn/c;;;1-5(2,3)4;/h;2*1H;(H2,1,2,3,4);/q+2;;;;+2/p-4
InChIKeyCQFJHONCBKUKAP-UHFFFAOYSA-J
XLogP-7.71
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 5-7.71
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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Related Compounds

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zinc;copper(1+);sulfate
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calcium;sulfate;heptahydrate
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Frequently Asked Questions

What is the IUPAC name of calcium;zinc;dichloride;sulfate?
The IUPAC name of calcium;zinc;dichloride;sulfate (CID 174360768) is calcium;zinc;dichloride;sulfate.
What is the SMILES notation for calcium;zinc;dichloride;sulfate?
The canonical SMILES for calcium;zinc;dichloride;sulfate is O=S(=O)([O-])[O-].[Ca+2].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of calcium;zinc;dichloride;sulfate?
The InChIKey is CQFJHONCBKUKAP-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.2ClH.H2O4S.Zn/c;;;1-5(2,3)4;/h;2*1H;(H2,1,2,3,4);/q+2;;;;+2/p-4.
What are the key properties of calcium;zinc;dichloride;sulfate?
calcium;zinc;dichloride;sulfate has a molecular weight of 272.44 g/mol, XLogP of -7.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;zinc;dichloride;sulfate is sourced from PubChem (CID 174360768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).