calcium;hydride;iron;sulfuric acid;hydrochloride

H5CaClFe2O4S — CID 173427945

IUPACcalcium;hydride;iron;sulfuric acid;hydrochloride
SMILESCl.O=S(=O)(O)O.[Ca+2].[Fe].[Fe].[H-].[H-]
InChIInChI=1S/Ca.ClH.2Fe.H2O4S.2H/c;;;;1-5(2,3)4;;/h;1H;;;(H2,1,2,3,4);;/q+2;;;;;2*-1
InChIKeyORGRQYXFRFURFP-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.39
Rot. Bonds

About calcium;hydride;iron;sulfuric acid;hydrochloride

calcium;hydride;iron;sulfuric acid;hydrochloride (PubChem CID 173427945) has the molecular formula H5CaClFe2O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is calcium;hydride;iron;sulfuric acid;hydrochloride.

Molecular Properties

Compound Namecalcium;hydride;iron;sulfuric acid;hydrochloride
PubChem CID173427945
Molecular FormulaH5CaClFe2O4S
Molecular Weight288.32 g/mol
Exact Mass287.79
IUPAC Namecalcium;hydride;iron;sulfuric acid;hydrochloride
SMILESCl.O=S(=O)(O)O.[Ca+2].[Fe].[Fe].[H-].[H-]
InChIInChI=1S/Ca.ClH.2Fe.H2O4S.2H/c;;;;1-5(2,3)4;;/h;1H;;;(H2,1,2,3,4);;/q+2;;;;;2*-1
InChIKeyORGRQYXFRFURFP-UHFFFAOYSA-N
XLogP-0.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 173127277
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dicalcium;hydride;sulfuric acid;dihydrate
CID 173090602
dicalcium;hydride;sulfuric acid;hydrate
CID 173153468
iron;sulfuric acid;zirconium;tetrahydrochloride
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sulfuric acid;trihydrochloride
CID 21419907
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CID 173109323
calcium;barium(2+);hydride;sulfuric acid;zinc
CID 174925769
calcium;alumane;hydride;manganese;sulfuric acid
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tricalcium;alumane;hydride;sulfuric acid;hydrate
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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;iron;sulfuric acid;hydrochloride?
The IUPAC name of calcium;hydride;iron;sulfuric acid;hydrochloride (CID 173427945) is calcium;hydride;iron;sulfuric acid;hydrochloride.
What is the SMILES notation for calcium;hydride;iron;sulfuric acid;hydrochloride?
The canonical SMILES for calcium;hydride;iron;sulfuric acid;hydrochloride is Cl.O=S(=O)(O)O.[Ca+2].[Fe].[Fe].[H-].[H-].
What is the InChIKey of calcium;hydride;iron;sulfuric acid;hydrochloride?
The InChIKey is ORGRQYXFRFURFP-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.ClH.2Fe.H2O4S.2H/c;;;;1-5(2,3)4;;/h;1H;;;(H2,1,2,3,4);;/q+2;;;;;2*-1.
What are the key properties of calcium;hydride;iron;sulfuric acid;hydrochloride?
calcium;hydride;iron;sulfuric acid;hydrochloride has a molecular weight of 288.32 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;iron;sulfuric acid;hydrochloride is sourced from PubChem (CID 173427945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).