dilithium;ethane-1,2-disulfonate

C2H4Li2O6S2 — CID 87246309

IUPACdilithium;ethane-1,2-disulfonate
SMILESO=S(=O)([O-])CCS(=O)(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C2H6O6S2.2Li/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
InChIKeyBBFXVAZBVHKUNK-UHFFFAOYSA-L
MW202.06 g/mol
LogP-7.92
Rot. Bonds3

About dilithium;ethane-1,2-disulfonate

dilithium;ethane-1,2-disulfonate (PubChem CID 87246309) has the molecular formula C2H4Li2O6S2 and a molecular weight of 202.06 g/mol. Its IUPAC name is dilithium;ethane-1,2-disulfonate.

Molecular Properties

Compound Namedilithium;ethane-1,2-disulfonate
PubChem CID87246309
Molecular FormulaC2H4Li2O6S2
Molecular Weight202.06 g/mol
Exact Mass201.98
IUPAC Namedilithium;ethane-1,2-disulfonate
SMILESO=S(=O)([O-])CCS(=O)(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C2H6O6S2.2Li/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
InChIKeyBBFXVAZBVHKUNK-UHFFFAOYSA-L
XLogP-7.92
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 5-7.92
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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Related Compounds

ethane-1,2-disulfonate;silver
CID 87079782
strontium ethane-1,2-disulfonate
CID 87366284
propane-1,3-disulfonate;silver
CID 87079724
undecane-1,11-disulfonate
CID 23618255
2-hydroxyethanesulfonate
CID 18931617
disodium;decane-1,10-disulfonate
CID 87519177
lithium propane-1-sulfonate
CID 131984534
lithium 2-fluoroethanesulfonate
CID 163830662
strontium bis(2-hydroxyethanesulfonate)
CID 87367145
potassium propane-1-sulfonate
CID 23693600
cerium(3+);tris(propane-1-sulfonate)
CID 159815250
tetrasodium bis(2-(2-sulfonatoethyldisulfanyl)ethanesulfonate)
CID 140515309

Frequently Asked Questions

What is the IUPAC name of dilithium;ethane-1,2-disulfonate?
The IUPAC name of dilithium;ethane-1,2-disulfonate (CID 87246309) is dilithium;ethane-1,2-disulfonate.
What is the SMILES notation for dilithium;ethane-1,2-disulfonate?
The canonical SMILES for dilithium;ethane-1,2-disulfonate is O=S(=O)([O-])CCS(=O)(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;ethane-1,2-disulfonate?
The InChIKey is BBFXVAZBVHKUNK-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O6S2.2Li/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2.
What are the key properties of dilithium;ethane-1,2-disulfonate?
dilithium;ethane-1,2-disulfonate has a molecular weight of 202.06 g/mol, XLogP of -7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;ethane-1,2-disulfonate is sourced from PubChem (CID 87246309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).