magnesium ethane-1,2-disulfonate

C2H4MgO6S2 — CID 44630278

IUPACmagnesium ethane-1,2-disulfonate
SMILESO=S(=O)([O-])CCS(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/C2H6O6S2.Mg/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);/q;+2/p-2
InChIKeySSBXOVXWBQBMOA-UHFFFAOYSA-L
MW212.49 g/mol
LogP-2.30
Rot. Bonds3

About magnesium ethane-1,2-disulfonate

magnesium ethane-1,2-disulfonate (PubChem CID 44630278) has the molecular formula C2H4MgO6S2 and a molecular weight of 212.49 g/mol. Its IUPAC name is magnesium ethane-1,2-disulfonate.

Molecular Properties

Compound Namemagnesium ethane-1,2-disulfonate
PubChem CID44630278
Molecular FormulaC2H4MgO6S2
Molecular Weight212.49 g/mol
Exact Mass211.93
IUPAC Namemagnesium ethane-1,2-disulfonate
SMILESO=S(=O)([O-])CCS(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/C2H6O6S2.Mg/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);/q;+2/p-2
InChIKeySSBXOVXWBQBMOA-UHFFFAOYSA-L
XLogP-2.30
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.49
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium ethane-1,2-disulfonate?
The IUPAC name of magnesium ethane-1,2-disulfonate (CID 44630278) is magnesium ethane-1,2-disulfonate.
What is the SMILES notation for magnesium ethane-1,2-disulfonate?
The canonical SMILES for magnesium ethane-1,2-disulfonate is O=S(=O)([O-])CCS(=O)(=O)[O-].[Mg+2].
What is the InChIKey of magnesium ethane-1,2-disulfonate?
The InChIKey is SSBXOVXWBQBMOA-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O6S2.Mg/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);/q;+2/p-2.
What are the key properties of magnesium ethane-1,2-disulfonate?
magnesium ethane-1,2-disulfonate has a molecular weight of 212.49 g/mol, XLogP of -2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium ethane-1,2-disulfonate is sourced from PubChem (CID 44630278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).