dicalcium;magnesium;dichloride;sulfate

Ca2Cl2MgO4S+2 — CID 161263321

IUPACdicalcium;magnesium;dichloride;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[Ca+2].[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/2Ca.2ClH.Mg.H2O4S/c;;;;;1-5(2,3)4/h;;2*1H;;(H2,1,2,3,4)/q2*+2;;;+2;/p-4
InChIKeyVCVSSMRORFTTKD-UHFFFAOYSA-J
MW271.43 g/mol
LogP-8.47
Rot. Bonds

About dicalcium;magnesium;dichloride;sulfate

dicalcium;magnesium;dichloride;sulfate (PubChem CID 161263321) has the molecular formula Ca2Cl2MgO4S+2 and a molecular weight of 271.43 g/mol. Its IUPAC name is dicalcium;magnesium;dichloride;sulfate.

Molecular Properties

Compound Namedicalcium;magnesium;dichloride;sulfate
PubChem CID161263321
Molecular FormulaCa2Cl2MgO4S+2
Molecular Weight271.43 g/mol
Exact Mass269.80
IUPAC Namedicalcium;magnesium;dichloride;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[Ca+2].[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/2Ca.2ClH.Mg.H2O4S/c;;;;;1-5(2,3)4/h;;2*1H;;(H2,1,2,3,4)/q2*+2;;;+2;/p-4
InChIKeyVCVSSMRORFTTKD-UHFFFAOYSA-J
XLogP-8.47
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 5-8.47
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

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dicalcium;sulfate
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magnesium;sulfate;hydrobromide
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tris(iron(2+));dichloride;disulfate
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calcium;sulfate;heptahydrate
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Frequently Asked Questions

What is the IUPAC name of dicalcium;magnesium;dichloride;sulfate?
The IUPAC name of dicalcium;magnesium;dichloride;sulfate (CID 161263321) is dicalcium;magnesium;dichloride;sulfate.
What is the SMILES notation for dicalcium;magnesium;dichloride;sulfate?
The canonical SMILES for dicalcium;magnesium;dichloride;sulfate is O=S(=O)([O-])[O-].[Ca+2].[Ca+2].[Cl-].[Cl-].[Mg+2].
What is the InChIKey of dicalcium;magnesium;dichloride;sulfate?
The InChIKey is VCVSSMRORFTTKD-UHFFFAOYSA-J. The full InChI is InChI=1S/2Ca.2ClH.Mg.H2O4S/c;;;;;1-5(2,3)4/h;;2*1H;;(H2,1,2,3,4)/q2*+2;;;+2;/p-4.
What are the key properties of dicalcium;magnesium;dichloride;sulfate?
dicalcium;magnesium;dichloride;sulfate has a molecular weight of 271.43 g/mol, XLogP of -8.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;magnesium;dichloride;sulfate is sourced from PubChem (CID 161263321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).