lithium cyclopropanesulfonate

C3H5LiO3S — CID 140643309

IUPAClithium cyclopropanesulfonate
SMILESO=S(=O)([O-])C1CC1.[Li+]
InChIInChI=1S/C3H6O3S.Li/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKeyFSXBHWXDJQLSMC-UHFFFAOYSA-M
MW128.08 g/mol
LogP-3.30
Rot. Bonds1

About lithium cyclopropanesulfonate

lithium cyclopropanesulfonate (PubChem CID 140643309) has the molecular formula C3H5LiO3S and a molecular weight of 128.08 g/mol. Its IUPAC name is lithium cyclopropanesulfonate.

Molecular Properties

Compound Namelithium cyclopropanesulfonate
PubChem CID140643309
Molecular FormulaC3H5LiO3S
Molecular Weight128.08 g/mol
Exact Mass128.01
IUPAC Namelithium cyclopropanesulfonate
SMILESO=S(=O)([O-])C1CC1.[Li+]
InChIInChI=1S/C3H6O3S.Li/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKeyFSXBHWXDJQLSMC-UHFFFAOYSA-M
XLogP-3.30
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.08
LogP ≤ 5-3.30
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 cyclopropanesulfonate?
The IUPAC name of lithium cyclopropanesulfonate (CID 140643309) is lithium cyclopropanesulfonate.
What is the SMILES notation for lithium cyclopropanesulfonate?
The canonical SMILES for lithium cyclopropanesulfonate is O=S(=O)([O-])C1CC1.[Li+].
What is the InChIKey of lithium cyclopropanesulfonate?
The InChIKey is FSXBHWXDJQLSMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3S.Li/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1.
What are the key properties of lithium cyclopropanesulfonate?
lithium cyclopropanesulfonate has a molecular weight of 128.08 g/mol, XLogP of -3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclopropanesulfonate is sourced from PubChem (CID 140643309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).