aluminum methanesulfonate

C3H9AlO9S3 — CID 46209605

IUPACaluminum methanesulfonate
SMILESCS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Al+3]
InChIInChI=1S/3CH4O3S.Al/c3*1-5(2,3)4;/h3*1H3,(H,2,3,4);/q;;;+3/p-3
InChIKeyCCNMTCHDGVNKBI-UHFFFAOYSA-K
MW312.28 g/mol
LogP-2.90
Rot. Bonds

About aluminum methanesulfonate

aluminum methanesulfonate (PubChem CID 46209605) has the molecular formula C3H9AlO9S3 and a molecular weight of 312.28 g/mol. Its IUPAC name is aluminum methanesulfonate.

Molecular Properties

Compound Namealuminum methanesulfonate
PubChem CID46209605
Molecular FormulaC3H9AlO9S3
Molecular Weight312.28 g/mol
Exact Mass311.92
IUPAC Namealuminum methanesulfonate
SMILESCS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Al+3]
InChIInChI=1S/3CH4O3S.Al/c3*1-5(2,3)4;/h3*1H3,(H,2,3,4);/q;;;+3/p-3
InChIKeyCCNMTCHDGVNKBI-UHFFFAOYSA-K
XLogP-2.90
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze aluminum methanesulfonate 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

methanesulfonate;silver
CID 15907847
cadmium(2+);methanesulfonate
CID 15443099
holmium(3+);methanesulfonate
CID 141092776
methanesulfonate;hydrobromide
CID 18469443
gold(3+);methanesulfonate
CID 140522406
dipotassium;methanesulfonate;chloride
CID 19881899
iron(2+);iron(3+);methanesulfonate
CID 21257627
bismuth;methanesulfonate;tin(4+)
CID 159941826
azanylidyneazanium;methanesulfonate
CID 19097166
cerium(4+);methanesulfonate;dihydroxide;hydrate
CID 173386213
lithium;methanesulfonate;trifluoroborane
CID 172736333
benzene;ethane;methanesulfonate
CID 90804134

Frequently Asked Questions

What is the IUPAC name of aluminum methanesulfonate?
The IUPAC name of aluminum methanesulfonate (CID 46209605) is aluminum methanesulfonate.
What is the SMILES notation for aluminum methanesulfonate?
The canonical SMILES for aluminum methanesulfonate is CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Al+3].
What is the InChIKey of aluminum methanesulfonate?
The InChIKey is CCNMTCHDGVNKBI-UHFFFAOYSA-K. The full InChI is InChI=1S/3CH4O3S.Al/c3*1-5(2,3)4;/h3*1H3,(H,2,3,4);/q;;;+3/p-3.
What are the key properties of aluminum methanesulfonate?
aluminum methanesulfonate has a molecular weight of 312.28 g/mol, XLogP of -2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum methanesulfonate is sourced from PubChem (CID 46209605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).