lithium;butane;sulfur dioxide

C4H9LiO2S — CID 174736562

IUPAClithium;butane;sulfur dioxide
SMILESO=S=O.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.Li.O2S/c1-3-4-2;;1-3-2/h1,3-4H2,2H3;;/q-1;+1;
InChIKeyVAKQNLDOEYZQNN-UHFFFAOYSA-N
MW128.12 g/mol
LogP-2.05
Rot. Bonds1

About lithium;butane;sulfur dioxide

lithium;butane;sulfur dioxide (PubChem CID 174736562) has the molecular formula C4H9LiO2S and a molecular weight of 128.12 g/mol. Its IUPAC name is lithium;butane;sulfur dioxide.

Molecular Properties

Compound Namelithium;butane;sulfur dioxide
PubChem CID174736562
Molecular FormulaC4H9LiO2S
Molecular Weight128.12 g/mol
Exact Mass128.05
IUPAC Namelithium;butane;sulfur dioxide
SMILESO=S=O.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.Li.O2S/c1-3-4-2;;1-3-2/h1,3-4H2,2H3;;/q-1;+1;
InChIKeyVAKQNLDOEYZQNN-UHFFFAOYSA-N
XLogP-2.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.12
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;butane;sulfur dioxide?
The IUPAC name of lithium;butane;sulfur dioxide (CID 174736562) is lithium;butane;sulfur dioxide.
What is the SMILES notation for lithium;butane;sulfur dioxide?
The canonical SMILES for lithium;butane;sulfur dioxide is O=S=O.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;sulfur dioxide?
The InChIKey is VAKQNLDOEYZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.Li.O2S/c1-3-4-2;;1-3-2/h1,3-4H2,2H3;;/q-1;+1;.
What are the key properties of lithium;butane;sulfur dioxide?
lithium;butane;sulfur dioxide has a molecular weight of 128.12 g/mol, XLogP of -2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;sulfur dioxide is sourced from PubChem (CID 174736562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).