lithium cyclopropanesulfinate

C3H5LiO2S — CID 23697073

IUPAClithium cyclopropanesulfinate
SMILESO=S([O-])C1CC1.[Li+]
InChIInChI=1S/C3H6O2S.Li/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1
InChIKeyFQFNZAQUZOIXCO-UHFFFAOYSA-M
MW112.08 g/mol
LogP-2.97
Rot. Bonds1

About lithium cyclopropanesulfinate

lithium cyclopropanesulfinate (PubChem CID 23697073) has the molecular formula C3H5LiO2S and a molecular weight of 112.08 g/mol. Its IUPAC name is lithium cyclopropanesulfinate.

Molecular Properties

Compound Namelithium cyclopropanesulfinate
PubChem CID23697073
Molecular FormulaC3H5LiO2S
Molecular Weight112.08 g/mol
Exact Mass112.02
IUPAC Namelithium cyclopropanesulfinate
SMILESO=S([O-])C1CC1.[Li+]
InChIInChI=1S/C3H6O2S.Li/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1
InChIKeyFQFNZAQUZOIXCO-UHFFFAOYSA-M
XLogP-2.97
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.08
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium cyclopropanesulfinate?
The IUPAC name of lithium cyclopropanesulfinate (CID 23697073) is lithium cyclopropanesulfinate.
What is the SMILES notation for lithium cyclopropanesulfinate?
The canonical SMILES for lithium cyclopropanesulfinate is O=S([O-])C1CC1.[Li+].
What is the InChIKey of lithium cyclopropanesulfinate?
The InChIKey is FQFNZAQUZOIXCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2S.Li/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1.
What are the key properties of lithium cyclopropanesulfinate?
lithium cyclopropanesulfinate has a molecular weight of 112.08 g/mol, XLogP of -2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclopropanesulfinate is sourced from PubChem (CID 23697073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).