calcium;copper;hydride;hydrogen sulfite

H3CaCuO3S- — CID 174847717

IUPACcalcium;copper;hydride;hydrogen sulfite
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/p-1
InChIKeyLVRWAQIZLDDILP-UHFFFAOYSA-M
MW186.71 g/mol
LogP-0.82
Rot. Bonds

About calcium;copper;hydride;hydrogen sulfite

calcium;copper;hydride;hydrogen sulfite (PubChem CID 174847717) has the molecular formula H3CaCuO3S- and a molecular weight of 186.71 g/mol. Its IUPAC name is calcium;copper;hydride;hydrogen sulfite.

Molecular Properties

Compound Namecalcium;copper;hydride;hydrogen sulfite
PubChem CID174847717
Molecular FormulaH3CaCuO3S-
Molecular Weight186.71 g/mol
Exact Mass185.87
IUPAC Namecalcium;copper;hydride;hydrogen sulfite
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/p-1
InChIKeyLVRWAQIZLDDILP-UHFFFAOYSA-M
XLogP-0.82
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze calcium;copper;hydride;hydrogen sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cerium(3+);hydrogen sulfite
CID 22269524
hydrogen sulfite;phosphane
CID 173071517
hydrogen sulfite;tantalum
CID 175264053
calcium;copper;hydride;sulfurous acid
CID 175249071
hydrogen sulfite;scandium
CID 174863397
hydrogen sulfite;λ2-plumbane
CID 174301264
sodium;hydrogen sulfite;sulfurous acid
CID 173350028
dicalcium;sulfurous acid;disulfite
CID 174940805
sodium;zinc;hydrogen sulfite
CID 160800284
sodium;azane;hydrogen sulfite
CID 173222991
hydrogen sulfite;zinc;dihydrate
CID 66545802
potassium;hydrogen peroxide;hydrogen sulfite
CID 174371450

Frequently Asked Questions

What is the IUPAC name of calcium;copper;hydride;hydrogen sulfite?
The IUPAC name of calcium;copper;hydride;hydrogen sulfite (CID 174847717) is calcium;copper;hydride;hydrogen sulfite.
What is the SMILES notation for calcium;copper;hydride;hydrogen sulfite?
The canonical SMILES for calcium;copper;hydride;hydrogen sulfite is O=S([O-])O.[Ca+2].[Cu].[H-].[H-].
What is the InChIKey of calcium;copper;hydride;hydrogen sulfite?
The InChIKey is LVRWAQIZLDDILP-UHFFFAOYSA-M. The full InChI is InChI=1S/Ca.Cu.H2O3S.2H/c;;1-4(2)3;;/h;;(H2,1,2,3);;/q+2;;;2*-1/p-1.
What are the key properties of calcium;copper;hydride;hydrogen sulfite?
calcium;copper;hydride;hydrogen sulfite has a molecular weight of 186.71 g/mol, XLogP of -0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;copper;hydride;hydrogen sulfite is sourced from PubChem (CID 174847717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).