lithium 2-methylpropane-2-sulfonate

C4H9LiO3S — CID 134896192

IUPAClithium 2-methylpropane-2-sulfonate
SMILESCC(C)(C)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H10O3S.Li/c1-4(2,3)8(5,6)7;/h1-3H3,(H,5,6,7);/q;+1/p-1
InChIKeyCLIFDHWLJVWAGC-UHFFFAOYSA-M
MW144.12 g/mol
LogP-2.67
Rot. Bonds

About lithium 2-methylpropane-2-sulfonate

lithium 2-methylpropane-2-sulfonate (PubChem CID 134896192) has the molecular formula C4H9LiO3S and a molecular weight of 144.12 g/mol. Its IUPAC name is lithium 2-methylpropane-2-sulfonate.

Molecular Properties

Compound Namelithium 2-methylpropane-2-sulfonate
PubChem CID134896192
Molecular FormulaC4H9LiO3S
Molecular Weight144.12 g/mol
Exact Mass144.04
IUPAC Namelithium 2-methylpropane-2-sulfonate
SMILESCC(C)(C)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H10O3S.Li/c1-4(2,3)8(5,6)7;/h1-3H3,(H,5,6,7);/q;+1/p-1
InChIKeyCLIFDHWLJVWAGC-UHFFFAOYSA-M
XLogP-2.67
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 5-2.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 lithium 2-methylpropane-2-sulfonate?
The IUPAC name of lithium 2-methylpropane-2-sulfonate (CID 134896192) is lithium 2-methylpropane-2-sulfonate.
What is the SMILES notation for lithium 2-methylpropane-2-sulfonate?
The canonical SMILES for lithium 2-methylpropane-2-sulfonate is CC(C)(C)S(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium 2-methylpropane-2-sulfonate?
The InChIKey is CLIFDHWLJVWAGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O3S.Li/c1-4(2,3)8(5,6)7;/h1-3H3,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium 2-methylpropane-2-sulfonate?
lithium 2-methylpropane-2-sulfonate has a molecular weight of 144.12 g/mol, XLogP of -2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpropane-2-sulfonate is sourced from PubChem (CID 134896192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).