magnesium;hydride;propanoyloxymethanesulfonic acid

C4H10MgO5S — CID 174802870

IUPACmagnesium;hydride;propanoyloxymethanesulfonic acid
SMILESCCC(=O)OCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O5S.Mg.2H/c1-2-4(5)9-3-10(6,7)8;;;/h2-3H2,1H3,(H,6,7,8);;;/q;+2;2*-1
InChIKeyPGVHMPOPVZKBEX-UHFFFAOYSA-N
MW194.49 g/mol
LogP-0.37
Rot. Bonds3

About magnesium;hydride;propanoyloxymethanesulfonic acid

magnesium;hydride;propanoyloxymethanesulfonic acid (PubChem CID 174802870) has the molecular formula C4H10MgO5S and a molecular weight of 194.49 g/mol. Its IUPAC name is magnesium;hydride;propanoyloxymethanesulfonic acid.

Molecular Properties

Compound Namemagnesium;hydride;propanoyloxymethanesulfonic acid
PubChem CID174802870
Molecular FormulaC4H10MgO5S
Molecular Weight194.49 g/mol
Exact Mass194.01
IUPAC Namemagnesium;hydride;propanoyloxymethanesulfonic acid
SMILESCCC(=O)OCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O5S.Mg.2H/c1-2-4(5)9-3-10(6,7)8;;;/h2-3H2,1H3,(H,6,7,8);;;/q;+2;2*-1
InChIKeyPGVHMPOPVZKBEX-UHFFFAOYSA-N
XLogP-0.37
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.49
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;propanoyloxymethanesulfonic acid
CID 174802933
propanoyloxymethanesulfonic acid
CID 151221600
azane;butanoyloxymethanesulfonic acid
CID 172852716
ethyl propanoate;methanesulfonic acid
CID 159764839
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885
prop-2-ynoxysulfonylmethyl propanoate
CID 89235494
cyclopropyloxysulfonylmethyl propanoate
CID 174799790
CID 172853862
CID 172853862
lithium;hydride;methyl propanoate
CID 174158387
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;methane
CID 161360642

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;propanoyloxymethanesulfonic acid?
The IUPAC name of magnesium;hydride;propanoyloxymethanesulfonic acid (CID 174802870) is magnesium;hydride;propanoyloxymethanesulfonic acid.
What is the SMILES notation for magnesium;hydride;propanoyloxymethanesulfonic acid?
The canonical SMILES for magnesium;hydride;propanoyloxymethanesulfonic acid is CCC(=O)OCS(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;propanoyloxymethanesulfonic acid?
The InChIKey is PGVHMPOPVZKBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O5S.Mg.2H/c1-2-4(5)9-3-10(6,7)8;;;/h2-3H2,1H3,(H,6,7,8);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;propanoyloxymethanesulfonic acid?
magnesium;hydride;propanoyloxymethanesulfonic acid has a molecular weight of 194.49 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;propanoyloxymethanesulfonic acid is sourced from PubChem (CID 174802870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).