lithium 2-ethoxysulfonylethanesulfonate

C4H9LiO6S2 — CID 87764163

IUPAClithium 2-ethoxysulfonylethanesulfonate
SMILESCCOS(=O)(=O)CCS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H10O6S2.Li/c1-2-10-12(8,9)4-3-11(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
InChIKeyZSKJFAXJVPHDMB-UHFFFAOYSA-M
MW224.18 g/mol
LogP-4.10
Rot. Bonds5

About lithium 2-ethoxysulfonylethanesulfonate

lithium 2-ethoxysulfonylethanesulfonate (PubChem CID 87764163) has the molecular formula C4H9LiO6S2 and a molecular weight of 224.18 g/mol. Its IUPAC name is lithium 2-ethoxysulfonylethanesulfonate.

Molecular Properties

Compound Namelithium 2-ethoxysulfonylethanesulfonate
PubChem CID87764163
Molecular FormulaC4H9LiO6S2
Molecular Weight224.18 g/mol
Exact Mass224.00
IUPAC Namelithium 2-ethoxysulfonylethanesulfonate
SMILESCCOS(=O)(=O)CCS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H10O6S2.Li/c1-2-10-12(8,9)4-3-11(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
InChIKeyZSKJFAXJVPHDMB-UHFFFAOYSA-M
XLogP-4.10
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-4.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dilithium;ethane-1,2-disulfonate
CID 87246309
lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate
CID 87764502
ethyl dodecane-1-sulfonate
CID 91372072
ethyl decane-1-sulfonate
CID 22672297
ethyl nonane-1-sulfonate
CID 152681372
strontium ethane-1,2-disulfonate
CID 87366284
ethane-1,2-disulfonate;silver
CID 87079782
ethyl 2-diethoxyphosphoryloxyethanesulfonate
CID 151734268
dysprosium(3+);ethyl sulfate
CID 57346753
ethyl sulfate;yttrium(3+)
CID 57361497
cadmium(2+);ethyl sulfate
CID 57361489
ethyl sulfate;thulium(3+)
CID 25022214

Frequently Asked Questions

What is the IUPAC name of lithium 2-ethoxysulfonylethanesulfonate?
The IUPAC name of lithium 2-ethoxysulfonylethanesulfonate (CID 87764163) is lithium 2-ethoxysulfonylethanesulfonate.
What is the SMILES notation for lithium 2-ethoxysulfonylethanesulfonate?
The canonical SMILES for lithium 2-ethoxysulfonylethanesulfonate is CCOS(=O)(=O)CCS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium 2-ethoxysulfonylethanesulfonate?
The InChIKey is ZSKJFAXJVPHDMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O6S2.Li/c1-2-10-12(8,9)4-3-11(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium 2-ethoxysulfonylethanesulfonate?
lithium 2-ethoxysulfonylethanesulfonate has a molecular weight of 224.18 g/mol, XLogP of -4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-ethoxysulfonylethanesulfonate is sourced from PubChem (CID 87764163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).