lithium;buta-1,2-diene;hydrogen sulfite

C4H7LiO3S — CID 175355103

IUPAClithium;buta-1,2-diene;hydrogen sulfite
SMILESC=C=CC.O=S([O-])O.[Li+]
InChIInChI=1S/C4H6.Li.H2O3S/c1-3-4-2;;1-4(2)3/h4H,1H2,2H3;;(H2,1,2,3)/q;+1;/p-1
InChIKeyGBCCFVKLIWKOQA-UHFFFAOYSA-M
MW142.10 g/mol
LogP-2.31
Rot. Bonds

About lithium;buta-1,2-diene;hydrogen sulfite

lithium;buta-1,2-diene;hydrogen sulfite (PubChem CID 175355103) has the molecular formula C4H7LiO3S and a molecular weight of 142.10 g/mol. Its IUPAC name is lithium;buta-1,2-diene;hydrogen sulfite.

Molecular Properties

Compound Namelithium;buta-1,2-diene;hydrogen sulfite
PubChem CID175355103
Molecular FormulaC4H7LiO3S
Molecular Weight142.10 g/mol
Exact Mass142.03
IUPAC Namelithium;buta-1,2-diene;hydrogen sulfite
SMILESC=C=CC.O=S([O-])O.[Li+]
InChIInChI=1S/C4H6.Li.H2O3S/c1-3-4-2;;1-4(2)3/h4H,1H2,2H3;;(H2,1,2,3)/q;+1;/p-1
InChIKeyGBCCFVKLIWKOQA-UHFFFAOYSA-M
XLogP-2.31
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.10
LogP ≤ 5-2.31
H-Bond Donors ≤ 51
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;buta-1,2-diene;hydrogen sulfite?
The IUPAC name of lithium;buta-1,2-diene;hydrogen sulfite (CID 175355103) is lithium;buta-1,2-diene;hydrogen sulfite.
What is the SMILES notation for lithium;buta-1,2-diene;hydrogen sulfite?
The canonical SMILES for lithium;buta-1,2-diene;hydrogen sulfite is C=C=CC.O=S([O-])O.[Li+].
What is the InChIKey of lithium;buta-1,2-diene;hydrogen sulfite?
The InChIKey is GBCCFVKLIWKOQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6.Li.H2O3S/c1-3-4-2;;1-4(2)3/h4H,1H2,2H3;;(H2,1,2,3)/q;+1;/p-1.
What are the key properties of lithium;buta-1,2-diene;hydrogen sulfite?
lithium;buta-1,2-diene;hydrogen sulfite has a molecular weight of 142.10 g/mol, XLogP of -2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;buta-1,2-diene;hydrogen sulfite is sourced from PubChem (CID 175355103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).