aluminum naphthalene-1-sulfonic acid

C10H8AlO3S+3 — CID 19753639

IUPACaluminum naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2ccccc12.[Al+3]
InChIInChI=1S/C10H8O3S.Al/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+3
InChIKeyCZBBVYWZWUOBLK-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.71
Rot. Bonds1

About aluminum naphthalene-1-sulfonic acid

aluminum naphthalene-1-sulfonic acid (PubChem CID 19753639) has the molecular formula C10H8AlO3S+3 and a molecular weight of 235.22 g/mol. Its IUPAC name is aluminum naphthalene-1-sulfonic acid.

Molecular Properties

Compound Namealuminum naphthalene-1-sulfonic acid
PubChem CID19753639
Molecular FormulaC10H8AlO3S+3
Molecular Weight235.22 g/mol
Exact Mass235.00
IUPAC Namealuminum naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2ccccc12.[Al+3]
InChIInChI=1S/C10H8O3S.Al/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+3
InChIKeyCZBBVYWZWUOBLK-UHFFFAOYSA-N
XLogP1.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-1-sulfonic acid
CID 158712346
CID 87877281
CID 87877281
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
CID 87599032
CID 87599032
methanamine;naphthalene-1-sulfonic acid
CID 174421353
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
naphthalene-1-sulfonic acid;phosphoric acid
CID 157288901
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
naphthalene-1-sulfonic acid;2H-triazole
CID 122441144
CID 172685149
CID 172685149

Frequently Asked Questions

What is the IUPAC name of aluminum naphthalene-1-sulfonic acid?
The IUPAC name of aluminum naphthalene-1-sulfonic acid (CID 19753639) is aluminum naphthalene-1-sulfonic acid.
What is the SMILES notation for aluminum naphthalene-1-sulfonic acid?
The canonical SMILES for aluminum naphthalene-1-sulfonic acid is O=S(=O)(O)c1cccc2ccccc12.[Al+3].
What is the InChIKey of aluminum naphthalene-1-sulfonic acid?
The InChIKey is CZBBVYWZWUOBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.Al/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+3.
What are the key properties of aluminum naphthalene-1-sulfonic acid?
aluminum naphthalene-1-sulfonic acid has a molecular weight of 235.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum naphthalene-1-sulfonic acid is sourced from PubChem (CID 19753639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).