dicalcium;hydride;sulfuric acid;hydrochloride

H7Ca2ClO4S — CID 173127277

IUPACdicalcium;hydride;sulfuric acid;hydrochloride
SMILESCl.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ca.ClH.H2O4S.4H/c;;;1-5(2,3)4;;;;/h;;1H;(H2,1,2,3,4);;;;/q2*+2;;;4*-1
InChIKeyGTPAZTPEGWYZJT-UHFFFAOYSA-N
MW218.73 g/mol
LogP-0.54
Rot. Bonds

About dicalcium;hydride;sulfuric acid;hydrochloride

dicalcium;hydride;sulfuric acid;hydrochloride (PubChem CID 173127277) has the molecular formula H7Ca2ClO4S and a molecular weight of 218.73 g/mol. Its IUPAC name is dicalcium;hydride;sulfuric acid;hydrochloride.

Molecular Properties

Compound Namedicalcium;hydride;sulfuric acid;hydrochloride
PubChem CID173127277
Molecular FormulaH7Ca2ClO4S
Molecular Weight218.73 g/mol
Exact Mass217.90
IUPAC Namedicalcium;hydride;sulfuric acid;hydrochloride
SMILESCl.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ca.ClH.H2O4S.4H/c;;;1-5(2,3)4;;;;/h;;1H;(H2,1,2,3,4);;;;/q2*+2;;;4*-1
InChIKeyGTPAZTPEGWYZJT-UHFFFAOYSA-N
XLogP-0.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 5-0.54
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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Frequently Asked Questions

What is the IUPAC name of dicalcium;hydride;sulfuric acid;hydrochloride?
The IUPAC name of dicalcium;hydride;sulfuric acid;hydrochloride (CID 173127277) is dicalcium;hydride;sulfuric acid;hydrochloride.
What is the SMILES notation for dicalcium;hydride;sulfuric acid;hydrochloride?
The canonical SMILES for dicalcium;hydride;sulfuric acid;hydrochloride is Cl.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of dicalcium;hydride;sulfuric acid;hydrochloride?
The InChIKey is GTPAZTPEGWYZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.ClH.H2O4S.4H/c;;;1-5(2,3)4;;;;/h;;1H;(H2,1,2,3,4);;;;/q2*+2;;;4*-1.
What are the key properties of dicalcium;hydride;sulfuric acid;hydrochloride?
dicalcium;hydride;sulfuric acid;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of -0.54, 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;hydrochloride is sourced from PubChem (CID 173127277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).