lithium 2,5-dihydrothiophene-3-carboxylate

C5H5LiO2S — CID 134881532

IUPAClithium 2,5-dihydrothiophene-3-carboxylate
SMILESO=C([O-])C1=CCSC1.[Li+]
InChIInChI=1S/C5H6O2S.Li/c6-5(7)4-1-2-8-3-4;/h1H,2-3H2,(H,6,7);/q;+1/p-1
InChIKeyXUJLURLRXKJJHM-UHFFFAOYSA-M
MW136.10 g/mol
LogP-3.59
Rot. Bonds1

About lithium 2,5-dihydrothiophene-3-carboxylate

lithium 2,5-dihydrothiophene-3-carboxylate (PubChem CID 134881532) has the molecular formula C5H5LiO2S and a molecular weight of 136.10 g/mol. Its IUPAC name is lithium 2,5-dihydrothiophene-3-carboxylate.

Molecular Properties

Compound Namelithium 2,5-dihydrothiophene-3-carboxylate
PubChem CID134881532
Molecular FormulaC5H5LiO2S
Molecular Weight136.10 g/mol
Exact Mass136.02
IUPAC Namelithium 2,5-dihydrothiophene-3-carboxylate
SMILESO=C([O-])C1=CCSC1.[Li+]
InChIInChI=1S/C5H6O2S.Li/c6-5(7)4-1-2-8-3-4;/h1H,2-3H2,(H,6,7);/q;+1/p-1
InChIKeyXUJLURLRXKJJHM-UHFFFAOYSA-M
XLogP-3.59
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 5-3.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium 2,5-dihydrothiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 2,5-dihydrothiophene-3-carboxylate?
The IUPAC name of lithium 2,5-dihydrothiophene-3-carboxylate (CID 134881532) is lithium 2,5-dihydrothiophene-3-carboxylate.
What is the SMILES notation for lithium 2,5-dihydrothiophene-3-carboxylate?
The canonical SMILES for lithium 2,5-dihydrothiophene-3-carboxylate is O=C([O-])C1=CCSC1.[Li+].
What is the InChIKey of lithium 2,5-dihydrothiophene-3-carboxylate?
The InChIKey is XUJLURLRXKJJHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6O2S.Li/c6-5(7)4-1-2-8-3-4;/h1H,2-3H2,(H,6,7);/q;+1/p-1.
What are the key properties of lithium 2,5-dihydrothiophene-3-carboxylate?
lithium 2,5-dihydrothiophene-3-carboxylate has a molecular weight of 136.10 g/mol, XLogP of -3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,5-dihydrothiophene-3-carboxylate is sourced from PubChem (CID 134881532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).