calcium;hydride;sulfuric acid;hydrochloride

H5CaClO4S — CID 173159750

IUPACcalcium;hydride;sulfuric acid;hydrochloride
SMILESCl.O=S(=O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.ClH.H2O4S.2H/c;;1-5(2,3)4;;/h;1H;(H2,1,2,3,4);;/q+2;;;2*-1
InChIKeyRPDZOAPHLZLRDO-UHFFFAOYSA-N
MW176.63 g/mol
LogP-0.39
Rot. Bonds

About calcium;hydride;sulfuric acid;hydrochloride

calcium;hydride;sulfuric acid;hydrochloride (PubChem CID 173159750) has the molecular formula H5CaClO4S and a molecular weight of 176.63 g/mol. Its IUPAC name is calcium;hydride;sulfuric acid;hydrochloride.

Molecular Properties

Compound Namecalcium;hydride;sulfuric acid;hydrochloride
PubChem CID173159750
Molecular FormulaH5CaClO4S
Molecular Weight176.63 g/mol
Exact Mass175.92
IUPAC Namecalcium;hydride;sulfuric acid;hydrochloride
SMILESCl.O=S(=O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.ClH.H2O4S.2H/c;;1-5(2,3)4;;/h;1H;(H2,1,2,3,4);;/q+2;;;2*-1
InChIKeyRPDZOAPHLZLRDO-UHFFFAOYSA-N
XLogP-0.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173153468
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CID 21419907
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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;sulfuric acid;hydrochloride?
The IUPAC name of calcium;hydride;sulfuric acid;hydrochloride (CID 173159750) is calcium;hydride;sulfuric acid;hydrochloride.
What is the SMILES notation for calcium;hydride;sulfuric acid;hydrochloride?
The canonical SMILES for calcium;hydride;sulfuric acid;hydrochloride is Cl.O=S(=O)(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;sulfuric acid;hydrochloride?
The InChIKey is RPDZOAPHLZLRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.ClH.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;sulfuric acid;hydrochloride?
calcium;hydride;sulfuric acid;hydrochloride has a molecular weight of 176.63 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;sulfuric acid;hydrochloride is sourced from PubChem (CID 173159750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).