lithium butane-1-sulfinate

C4H9LiO2S — CID 23669361

IUPAClithium butane-1-sulfinate
SMILESCCCCS(=O)[O-].[Li+]
InChIInChI=1S/C4H10O2S.Li/c1-2-3-4-7(5)6;/h2-4H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyCCHLGFJPIQGRGT-UHFFFAOYSA-M
MW128.12 g/mol
LogP-2.33
Rot. Bonds3

About lithium butane-1-sulfinate

lithium butane-1-sulfinate (PubChem CID 23669361) has the molecular formula C4H9LiO2S and a molecular weight of 128.12 g/mol. Its IUPAC name is lithium butane-1-sulfinate.

Molecular Properties

Compound Namelithium butane-1-sulfinate
PubChem CID23669361
Molecular FormulaC4H9LiO2S
Molecular Weight128.12 g/mol
Exact Mass128.05
IUPAC Namelithium butane-1-sulfinate
SMILESCCCCS(=O)[O-].[Li+]
InChIInChI=1S/C4H10O2S.Li/c1-2-3-4-7(5)6;/h2-4H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyCCHLGFJPIQGRGT-UHFFFAOYSA-M
XLogP-2.33
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.12
LogP ≤ 5-2.33
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 butane-1-sulfinate?
The IUPAC name of lithium butane-1-sulfinate (CID 23669361) is lithium butane-1-sulfinate.
What is the SMILES notation for lithium butane-1-sulfinate?
The canonical SMILES for lithium butane-1-sulfinate is CCCCS(=O)[O-].[Li+].
What is the InChIKey of lithium butane-1-sulfinate?
The InChIKey is CCHLGFJPIQGRGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2S.Li/c1-2-3-4-7(5)6;/h2-4H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of lithium butane-1-sulfinate?
lithium butane-1-sulfinate has a molecular weight of 128.12 g/mol, XLogP of -2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium butane-1-sulfinate is sourced from PubChem (CID 23669361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).