lithium propane-1-sulfonate

C3H7LiO3S — CID 131984534

IUPAClithium propane-1-sulfonate
SMILESCCCS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C3H8O3S.Li/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyUJNXTBUMMDFDKK-UHFFFAOYSA-M
MW130.09 g/mol
LogP-3.05
Rot. Bonds2

About lithium propane-1-sulfonate

lithium propane-1-sulfonate (PubChem CID 131984534) has the molecular formula C3H7LiO3S and a molecular weight of 130.09 g/mol. Its IUPAC name is lithium propane-1-sulfonate.

Molecular Properties

Compound Namelithium propane-1-sulfonate
PubChem CID131984534
Molecular FormulaC3H7LiO3S
Molecular Weight130.09 g/mol
Exact Mass130.03
IUPAC Namelithium propane-1-sulfonate
SMILESCCCS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C3H8O3S.Li/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyUJNXTBUMMDFDKK-UHFFFAOYSA-M
XLogP-3.05
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.09
LogP ≤ 5-3.05
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

potassium propane-1-sulfonate
CID 23693600
cerium(3+);tris(propane-1-sulfonate)
CID 159815250
sodium;methanethiol;propane-1-sulfonate
CID 175220248
sodium;formamide;propane-1-sulfonate
CID 175799475
lithium butane-1-sulfonate
CID 23684871
dodecylazanium;propane-1-sulfonate
CID 161057957
aluminum tris(butane-1-sulfonate)
CID 158588198
CID 172823664
CID 172823664
dilithium;ethane-1,2-disulfonate
CID 87246309
silver decane-1-sulfonate
CID 18615614
CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758

Frequently Asked Questions

What is the IUPAC name of lithium propane-1-sulfonate?
The IUPAC name of lithium propane-1-sulfonate (CID 131984534) is lithium propane-1-sulfonate.
What is the SMILES notation for lithium propane-1-sulfonate?
The canonical SMILES for lithium propane-1-sulfonate is CCCS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium propane-1-sulfonate?
The InChIKey is UJNXTBUMMDFDKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3S.Li/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1.
What are the key properties of lithium propane-1-sulfonate?
lithium propane-1-sulfonate has a molecular weight of 130.09 g/mol, XLogP of -3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium propane-1-sulfonate is sourced from PubChem (CID 131984534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).