magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid

C4H10MgO3S — CID 174879880

IUPACmagnesium;hydride;2-methylprop-2-ene-1-sulfonic acid
SMILESC=C(C)CS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O3S.Mg.2H/c1-4(2)3-8(5,6)7;;;/h1,3H2,2H3,(H,5,6,7);;;/q;+2;2*-1
InChIKeyQBKAGTKUJCHJRW-UHFFFAOYSA-N
MW162.49 g/mol
LogP0.29
Rot. Bonds2

About magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid

magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid (PubChem CID 174879880) has the molecular formula C4H10MgO3S and a molecular weight of 162.49 g/mol. Its IUPAC name is magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-methylprop-2-ene-1-sulfonic acid
PubChem CID174879880
Molecular FormulaC4H10MgO3S
Molecular Weight162.49 g/mol
Exact Mass162.02
IUPAC Namemagnesium;hydride;2-methylprop-2-ene-1-sulfonic acid
SMILESC=C(C)CS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O3S.Mg.2H/c1-4(2)3-8(5,6)7;;;/h1,3H2,2H3,(H,5,6,7);;;/q;+2;2*-1
InChIKeyQBKAGTKUJCHJRW-UHFFFAOYSA-N
XLogP0.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.49
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;2-methylprop-2-ene-1-sulfonic acid
CID 174879873
2-methylprop-2-ene-1-sulfonic acid;yttrium
CID 20670845
N,N-diethylethanamine;2-methylprop-2-ene-1-sulfonic acid
CID 174514420
2-methylprop-2-ene-1-sulfonic acid;pyridine
CID 87942262
1-methylimidazole;2-methylprop-2-ene-1-sulfonic acid
CID 173379549
prop-2-ene-1,2-disulfonic acid
CID 87689860
sodium 2-methylprop-2-ene-1-sulfonate
CID 23663624
2-methoxyprop-2-ene-1-sulfonic acid
CID 175208097
2-bromoprop-2-ene-1-sulfonic acid
CID 175061384
2-fluoroprop-2-ene-1-sulfonic acid
CID 87155261
2-methylidenepentane-1-sulfonic acid
CID 88537224
2,3-dioxobutane-1-sulfonic acid
CID 175261536

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid?
The IUPAC name of magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid (CID 174879880) is magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid.
What is the SMILES notation for magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid?
The canonical SMILES for magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid is C=C(C)CS(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid?
The InChIKey is QBKAGTKUJCHJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S.Mg.2H/c1-4(2)3-8(5,6)7;;;/h1,3H2,2H3,(H,5,6,7);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid?
magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid has a molecular weight of 162.49 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 174879880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).