dicalcium;hydride;sulfuric acid;dihydrate

H10Ca2O6S — CID 173090602

IUPACdicalcium;hydride;sulfuric acid;dihydrate
SMILESO.O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ca.H2O4S.2H2O.4H/c;;1-5(2,3)4;;;;;;/h;;(H2,1,2,3,4);2*1H2;;;;/q2*+2;;;;4*-1
InChIKeyXBAPXQHSDPRVHP-UHFFFAOYSA-N
MW218.30 g/mol
LogP-2.61
Rot. Bonds

About dicalcium;hydride;sulfuric acid;dihydrate

dicalcium;hydride;sulfuric acid;dihydrate (PubChem CID 173090602) has the molecular formula H10Ca2O6S and a molecular weight of 218.30 g/mol. Its IUPAC name is dicalcium;hydride;sulfuric acid;dihydrate.

Molecular Properties

Compound Namedicalcium;hydride;sulfuric acid;dihydrate
PubChem CID173090602
Molecular FormulaH10Ca2O6S
Molecular Weight218.30 g/mol
Exact Mass217.94
IUPAC Namedicalcium;hydride;sulfuric acid;dihydrate
SMILESO.O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ca.H2O4S.2H2O.4H/c;;1-5(2,3)4;;;;;;/h;;(H2,1,2,3,4);2*1H2;;;;/q2*+2;;;;4*-1
InChIKeyXBAPXQHSDPRVHP-UHFFFAOYSA-N
XLogP-2.61
TPSA137.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-2.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dicalcium;hydride;sulfuric acid;dihydrate 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

dicalcium;hydride;sulfuric acid;pentahydrate
CID 173205930
dicalcium;hydride;sulfuric acid;hydrate
CID 173153468
tricalcium;alumane;hydride;sulfuric acid;hydrate
CID 175130797
dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride
CID 174417210
dicalcium;hydride;sulfuric acid;hydrochloride
CID 173127277
lithium;sodium;hydride;sulfuric acid;dihydrate
CID 174867340
calcium;hydride;sulfuric acid;hydrochloride
CID 173159750
dipotassium;hydride;sulfuric acid;hydrate
CID 173076928
potassium;hydride;sulfuric acid;dodecahydrate
CID 173335456
sulfuric acid;tridecahydrate
CID 71366893
calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate
CID 173156275
calcium;barium(2+);hydride;sulfuric acid;zinc
CID 174925769

Frequently Asked Questions

What is the IUPAC name of dicalcium;hydride;sulfuric acid;dihydrate?
The IUPAC name of dicalcium;hydride;sulfuric acid;dihydrate (CID 173090602) is dicalcium;hydride;sulfuric acid;dihydrate.
What is the SMILES notation for dicalcium;hydride;sulfuric acid;dihydrate?
The canonical SMILES for dicalcium;hydride;sulfuric acid;dihydrate is O.O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of dicalcium;hydride;sulfuric acid;dihydrate?
The InChIKey is XBAPXQHSDPRVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.H2O4S.2H2O.4H/c;;1-5(2,3)4;;;;;;/h;;(H2,1,2,3,4);2*1H2;;;;/q2*+2;;;;4*-1.
What are the key properties of dicalcium;hydride;sulfuric acid;dihydrate?
dicalcium;hydride;sulfuric acid;dihydrate has a molecular weight of 218.30 g/mol, XLogP of -2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;hydride;sulfuric acid;dihydrate is sourced from PubChem (CID 173090602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).