lithium butane-1-sulfonate

C4H9LiO3S — CID 23684871

IUPAClithium butane-1-sulfonate
SMILESCCCCS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H10O3S.Li/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
InChIKeyPULRPLILZLBLRM-UHFFFAOYSA-M
MW144.12 g/mol
LogP-2.66
Rot. Bonds3

About lithium butane-1-sulfonate

lithium butane-1-sulfonate (PubChem CID 23684871) has the molecular formula C4H9LiO3S and a molecular weight of 144.12 g/mol. Its IUPAC name is lithium butane-1-sulfonate.

Molecular Properties

Compound Namelithium butane-1-sulfonate
PubChem CID23684871
Molecular FormulaC4H9LiO3S
Molecular Weight144.12 g/mol
Exact Mass144.04
IUPAC Namelithium butane-1-sulfonate
SMILESCCCCS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H10O3S.Li/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
InChIKeyPULRPLILZLBLRM-UHFFFAOYSA-M
XLogP-2.66
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 5-2.66
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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Related Compounds

aluminum tris(butane-1-sulfonate)
CID 158588198
CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
sodium;pentane-1-sulfonate;hydrate
CID 23693099
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
aluminum tris(octadecane-1-sulfonate)
CID 158491370
sodium dodecane-1-sulfonate
CID 23665726
potassium tridecane-1-sulfonate
CID 23711351
zinc bis(tetradecane-1-sulfonate)
CID 139716467

Frequently Asked Questions

What is the IUPAC name of lithium butane-1-sulfonate?
The IUPAC name of lithium butane-1-sulfonate (CID 23684871) is lithium butane-1-sulfonate.
What is the SMILES notation for lithium butane-1-sulfonate?
The canonical SMILES for lithium butane-1-sulfonate is CCCCS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium butane-1-sulfonate?
The InChIKey is PULRPLILZLBLRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O3S.Li/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium butane-1-sulfonate?
lithium butane-1-sulfonate has a molecular weight of 144.12 g/mol, XLogP of -2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium butane-1-sulfonate is sourced from PubChem (CID 23684871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).