calcium;copper;hydride;sulfurous acid

H4CaCuO3S — CID 175249071

IUPACcalcium;copper;hydride;sulfurous acid
SMILESO=S(O)O.[Ca+2].[Cu].[H-].[H-]
InChIInChI=1S/Ca.Cu.H2O3S.2H/c;;1-4(2)3;;/h;;(H2,1,2,3);;/q+2;;;2*-1
InChIKeyLVRWAQIZLDDILP-UHFFFAOYSA-N
MW187.72 g/mol
LogP-0.48
Rot. Bonds

About calcium;copper;hydride;sulfurous acid

calcium;copper;hydride;sulfurous acid (PubChem CID 175249071) has the molecular formula H4CaCuO3S and a molecular weight of 187.72 g/mol. Its IUPAC name is calcium;copper;hydride;sulfurous acid.

Molecular Properties

Compound Namecalcium;copper;hydride;sulfurous acid
PubChem CID175249071
Molecular FormulaH4CaCuO3S
Molecular Weight187.72 g/mol
Exact Mass186.88
IUPAC Namecalcium;copper;hydride;sulfurous acid
SMILESO=S(O)O.[Ca+2].[Cu].[H-].[H-]
InChIInChI=1S/Ca.Cu.H2O3S.2H/c;;1-4(2)3;;/h;;(H2,1,2,3);;/q+2;;;2*-1
InChIKeyLVRWAQIZLDDILP-UHFFFAOYSA-N
XLogP-0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.72
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

calcium;copper;hydride;hydrogen sulfite
CID 174847717
disodium;hydride;sulfurous acid;hydrate
CID 173356771
sodium;hydride;sulfurous acid;hydrate
CID 173091815
sodium;hydride;sulfane;sulfurous acid
CID 174437029
potassium;hydride;sulfurous acid;dihydrate
CID 173187003
potassium;hydride;palladium;sulfurous acid
CID 173324276
sodium;hydride;sulfurous acid;nonahydrate
CID 173340103
magnesium;hydride;λ2-plumbane;sulfurous acid
CID 175491102
calcium;hydride;sulfuric acid;sulfurous acid
CID 173085822
hydron;sulfurous acid
CID 173020149
CID 162004424
CID 162004424
CID 139595971
CID 139595971

Frequently Asked Questions

What is the IUPAC name of calcium;copper;hydride;sulfurous acid?
The IUPAC name of calcium;copper;hydride;sulfurous acid (CID 175249071) is calcium;copper;hydride;sulfurous acid.
What is the SMILES notation for calcium;copper;hydride;sulfurous acid?
The canonical SMILES for calcium;copper;hydride;sulfurous acid is O=S(O)O.[Ca+2].[Cu].[H-].[H-].
What is the InChIKey of calcium;copper;hydride;sulfurous acid?
The InChIKey is LVRWAQIZLDDILP-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Cu.H2O3S.2H/c;;1-4(2)3;;/h;;(H2,1,2,3);;/q+2;;;2*-1.
What are the key properties of calcium;copper;hydride;sulfurous acid?
calcium;copper;hydride;sulfurous acid has a molecular weight of 187.72 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;copper;hydride;sulfurous acid is sourced from PubChem (CID 175249071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).