magnesium;hydride;phenanthrene-1-sulfonic acid

C14H12MgO3S — CID 174836310

IUPACmagnesium;hydride;phenanthrene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c1ccc1ccccc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C14H10O3S.Mg.2H/c15-18(16,17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;;;/h1-9H,(H,15,16,17);;;/q;+2;2*-1
InChIKeyQILIXTGBZYCBNL-UHFFFAOYSA-N
MW284.62 g/mol
LogP3.08
Rot. Bonds1

About magnesium;hydride;phenanthrene-1-sulfonic acid

magnesium;hydride;phenanthrene-1-sulfonic acid (PubChem CID 174836310) has the molecular formula C14H12MgO3S and a molecular weight of 284.62 g/mol. Its IUPAC name is magnesium;hydride;phenanthrene-1-sulfonic acid.

Molecular Properties

Compound Namemagnesium;hydride;phenanthrene-1-sulfonic acid
PubChem CID174836310
Molecular FormulaC14H12MgO3S
Molecular Weight284.62 g/mol
Exact Mass284.04
IUPAC Namemagnesium;hydride;phenanthrene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c1ccc1ccccc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C14H10O3S.Mg.2H/c15-18(16,17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;;;/h1-9H,(H,15,16,17);;;/q;+2;2*-1
InChIKeyQILIXTGBZYCBNL-UHFFFAOYSA-N
XLogP3.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.62
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;phenanthrene-1-sulfonic acid?
The IUPAC name of magnesium;hydride;phenanthrene-1-sulfonic acid (CID 174836310) is magnesium;hydride;phenanthrene-1-sulfonic acid.
What is the SMILES notation for magnesium;hydride;phenanthrene-1-sulfonic acid?
The canonical SMILES for magnesium;hydride;phenanthrene-1-sulfonic acid is O=S(=O)(O)c1cccc2c1ccc1ccccc12.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;phenanthrene-1-sulfonic acid?
The InChIKey is QILIXTGBZYCBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S.Mg.2H/c15-18(16,17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;;;/h1-9H,(H,15,16,17);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;phenanthrene-1-sulfonic acid?
magnesium;hydride;phenanthrene-1-sulfonic acid has a molecular weight of 284.62 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;phenanthrene-1-sulfonic acid is sourced from PubChem (CID 174836310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).