magnesium;hydride;pentane-1-sulfonic acid

C5H14MgO3S — CID 174919972

IUPACmagnesium;hydride;pentane-1-sulfonic acid
SMILESCCCCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H12O3S.Mg.2H/c1-2-3-4-5-9(6,7)8;;;/h2-5H2,1H3,(H,6,7,8);;;/q;+2;2*-1
InChIKeyPKYWJUVPOPAIEN-UHFFFAOYSA-N
MW178.54 g/mol
LogP0.91
Rot. Bonds4

About magnesium;hydride;pentane-1-sulfonic acid

magnesium;hydride;pentane-1-sulfonic acid (PubChem CID 174919972) has the molecular formula C5H14MgO3S and a molecular weight of 178.54 g/mol. Its IUPAC name is magnesium;hydride;pentane-1-sulfonic acid.

Molecular Properties

Compound Namemagnesium;hydride;pentane-1-sulfonic acid
PubChem CID174919972
Molecular FormulaC5H14MgO3S
Molecular Weight178.54 g/mol
Exact Mass178.05
IUPAC Namemagnesium;hydride;pentane-1-sulfonic acid
SMILESCCCCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H12O3S.Mg.2H/c1-2-3-4-5-9(6,7)8;;;/h2-5H2,1H3,(H,6,7,8);;;/q;+2;2*-1
InChIKeyPKYWJUVPOPAIEN-UHFFFAOYSA-N
XLogP0.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.54
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039
magnesium;dodecane-1-sulfonic acid;hydride
CID 173017577
potassium;hexane-1-sulfonic acid;hydride
CID 173172538
gold;pentane-1-sulfonic acid
CID 174800543
decane-1-sulfonic acid
CID 157391186
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
azanium octadecane-1-sulfonic acid
CID 20560144
decane-1-sulfonic acid;silver
CID 72587294
methanamine;pentane-1-sulfonic acid
CID 87578509
azane;octadecane-1-sulfonic acid
CID 173437409
CID 87263567
CID 87263567
copper;dodecane-1-sulfonic acid
CID 87837218

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;pentane-1-sulfonic acid?
The IUPAC name of magnesium;hydride;pentane-1-sulfonic acid (CID 174919972) is magnesium;hydride;pentane-1-sulfonic acid.
What is the SMILES notation for magnesium;hydride;pentane-1-sulfonic acid?
The canonical SMILES for magnesium;hydride;pentane-1-sulfonic acid is CCCCCS(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;pentane-1-sulfonic acid?
The InChIKey is PKYWJUVPOPAIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3S.Mg.2H/c1-2-3-4-5-9(6,7)8;;;/h2-5H2,1H3,(H,6,7,8);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;pentane-1-sulfonic acid?
magnesium;hydride;pentane-1-sulfonic acid has a molecular weight of 178.54 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;pentane-1-sulfonic acid is sourced from PubChem (CID 174919972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).