lithium thiophene-2-carboxylate

C5H3LiO2S — CID 19205771

IUPAClithium thiophene-2-carboxylate
SMILESO=C([O-])c1cccs1.[Li+]
InChIInChI=1S/C5H4O2S.Li/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKeySQEHCNOBYLQFTG-UHFFFAOYSA-M
MW134.08 g/mol
LogP-2.88
Rot. Bonds1

About lithium thiophene-2-carboxylate

lithium thiophene-2-carboxylate (PubChem CID 19205771) has the molecular formula C5H3LiO2S and a molecular weight of 134.08 g/mol. Its IUPAC name is lithium thiophene-2-carboxylate.

Molecular Properties

Compound Namelithium thiophene-2-carboxylate
PubChem CID19205771
Molecular FormulaC5H3LiO2S
Molecular Weight134.08 g/mol
Exact Mass134.00
IUPAC Namelithium thiophene-2-carboxylate
SMILESO=C([O-])c1cccs1.[Li+]
InChIInChI=1S/C5H4O2S.Li/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKeySQEHCNOBYLQFTG-UHFFFAOYSA-M
XLogP-2.88
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.08
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium thiophene-2-carboxylate?
The IUPAC name of lithium thiophene-2-carboxylate (CID 19205771) is lithium thiophene-2-carboxylate.
What is the SMILES notation for lithium thiophene-2-carboxylate?
The canonical SMILES for lithium thiophene-2-carboxylate is O=C([O-])c1cccs1.[Li+].
What is the InChIKey of lithium thiophene-2-carboxylate?
The InChIKey is SQEHCNOBYLQFTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4O2S.Li/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1.
What are the key properties of lithium thiophene-2-carboxylate?
lithium thiophene-2-carboxylate has a molecular weight of 134.08 g/mol, XLogP of -2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium thiophene-2-carboxylate is sourced from PubChem (CID 19205771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).