calcium;hydride;sulfuric acid;sulfurous acid

H6CaO7S2 — CID 173085822

IUPACcalcium;hydride;sulfuric acid;sulfurous acid
SMILESO=S(=O)(O)O.O=S(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H2O4S.H2O3S.2H/c;1-5(2,3)4;1-4(2)3;;/h;(H2,1,2,3,4);(H2,1,2,3);;/q+2;;;2*-1
InChIKeyAOAWIIJCMMYUHL-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.13
Rot. Bonds

About calcium;hydride;sulfuric acid;sulfurous acid

calcium;hydride;sulfuric acid;sulfurous acid (PubChem CID 173085822) has the molecular formula H6CaO7S2 and a molecular weight of 222.25 g/mol. Its IUPAC name is calcium;hydride;sulfuric acid;sulfurous acid.

Molecular Properties

Compound Namecalcium;hydride;sulfuric acid;sulfurous acid
PubChem CID173085822
Molecular FormulaH6CaO7S2
Molecular Weight222.25 g/mol
Exact Mass221.92
IUPAC Namecalcium;hydride;sulfuric acid;sulfurous acid
SMILESO=S(=O)(O)O.O=S(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H2O4S.H2O3S.2H/c;1-5(2,3)4;1-4(2)3;;/h;(H2,1,2,3,4);(H2,1,2,3);;/q+2;;;2*-1
InChIKeyAOAWIIJCMMYUHL-UHFFFAOYSA-N
XLogP-1.13
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175249071
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CID 173159750
dicalcium;hydride;sulfuric acid;hydrochloride
CID 173127277
dicalcium;hydride;sulfuric acid;hydrate
CID 173153468
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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;sulfuric acid;sulfurous acid?
The IUPAC name of calcium;hydride;sulfuric acid;sulfurous acid (CID 173085822) is calcium;hydride;sulfuric acid;sulfurous acid.
What is the SMILES notation for calcium;hydride;sulfuric acid;sulfurous acid?
The canonical SMILES for calcium;hydride;sulfuric acid;sulfurous acid is O=S(=O)(O)O.O=S(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;sulfuric acid;sulfurous acid?
The InChIKey is AOAWIIJCMMYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H2O4S.H2O3S.2H/c;1-5(2,3)4;1-4(2)3;;/h;(H2,1,2,3,4);(H2,1,2,3);;/q+2;;;2*-1.
What are the key properties of calcium;hydride;sulfuric acid;sulfurous acid?
calcium;hydride;sulfuric acid;sulfurous acid has a molecular weight of 222.25 g/mol, XLogP of -1.13, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;sulfuric acid;sulfurous acid is sourced from PubChem (CID 173085822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).