CID 174530488

H6BBaMgO4S — CID 174530488

IUPAC—
SMILESO=S(=O)(O)O.[B].[Ba+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/B.Ba.Mg.H2O4S.4H/c;;;1-5(2,3)4;;;;/h;;;(H2,1,2,3,4);;;;/q;2*+2;;4*-1
InChIKeyFSSCDUIIBIZHGF-UHFFFAOYSA-N
MW274.56 g/mol
LogP-1.35
Rot. Bonds

About CID 174530488

CID 174530488 (PubChem CID 174530488) has the molecular formula H6BBaMgO4S and a molecular weight of 274.56 g/mol.

Molecular Properties

Compound NameCID 174530488
PubChem CID174530488
Molecular FormulaH6BBaMgO4S
Molecular Weight274.56 g/mol
Exact Mass274.90
IUPAC Name—
SMILESO=S(=O)(O)O.[B].[Ba+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/B.Ba.Mg.H2O4S.4H/c;;;1-5(2,3)4;;;;/h;;;(H2,1,2,3,4);;;;/q;2*+2;;4*-1
InChIKeyFSSCDUIIBIZHGF-UHFFFAOYSA-N
XLogP-1.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.56
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;barium(2+);hydride;sulfuric acid
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lithium;barium(2+);hydride;sulfuric acid
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dimagnesium;sodium;hydride;sulfuric acid
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azane;barium(2+);hydride;sulfuric acid
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CID 173220382
CID 173220382
(barium(2+));sulfuric acid
CID 173434226
calcium;barium(2+);hydride;sulfuric acid;zinc
CID 174925769
magnesium;potassium;hydride;sulfuric acid;hexahydrate
CID 175028651
disodium;hydride;sulfuric acid
CID 173031766
dipotassium;hydride;sulfuric acid
CID 173242189
disodium;hydride;sulfuric acid
CID 173215682
beryllium;hydride;sulfuric acid
CID 174664127

Frequently Asked Questions

What is the IUPAC name of CID 174530488?
The IUPAC name of CID 174530488 (CID 174530488) is not available.
What is the SMILES notation for CID 174530488?
The canonical SMILES for CID 174530488 is O=S(=O)(O)O.[B].[Ba+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of CID 174530488?
The InChIKey is FSSCDUIIBIZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ba.Mg.H2O4S.4H/c;;;1-5(2,3)4;;;;/h;;;(H2,1,2,3,4);;;;/q;2*+2;;4*-1.
What are the key properties of CID 174530488?
CID 174530488 has a molecular weight of 274.56 g/mol, XLogP of -1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174530488 is sourced from PubChem (CID 174530488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).