lithium 2,5-dihydrothiophen-5-ide 1-oxide

C4H5LiOS — CID 134906252

IUPAClithium 2,5-dihydrothiophen-5-ide 1-oxide
SMILESO=S1[CH-]C=CC1.[Li+]
InChIInChI=1S/C4H5OS.Li/c5-6-3-1-2-4-6;/h1-3H,4H2;/q-1;+1
InChIKeyLAVCKPLLTUXLQC-UHFFFAOYSA-N
MW108.09 g/mol
LogP-2.53
Rot. Bonds

About lithium 2,5-dihydrothiophen-5-ide 1-oxide

lithium 2,5-dihydrothiophen-5-ide 1-oxide (PubChem CID 134906252) has the molecular formula C4H5LiOS and a molecular weight of 108.09 g/mol. Its IUPAC name is lithium 2,5-dihydrothiophen-5-ide 1-oxide.

Molecular Properties

Compound Namelithium 2,5-dihydrothiophen-5-ide 1-oxide
PubChem CID134906252
Molecular FormulaC4H5LiOS
Molecular Weight108.09 g/mol
Exact Mass108.02
IUPAC Namelithium 2,5-dihydrothiophen-5-ide 1-oxide
SMILESO=S1[CH-]C=CC1.[Li+]
InChIInChI=1S/C4H5OS.Li/c5-6-3-1-2-4-6;/h1-3H,4H2;/q-1;+1
InChIKeyLAVCKPLLTUXLQC-UHFFFAOYSA-N
XLogP-2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,5-dihydrothiophen-5-ide 1-oxide?
The IUPAC name of lithium 2,5-dihydrothiophen-5-ide 1-oxide (CID 134906252) is lithium 2,5-dihydrothiophen-5-ide 1-oxide.
What is the SMILES notation for lithium 2,5-dihydrothiophen-5-ide 1-oxide?
The canonical SMILES for lithium 2,5-dihydrothiophen-5-ide 1-oxide is O=S1[CH-]C=CC1.[Li+].
What is the InChIKey of lithium 2,5-dihydrothiophen-5-ide 1-oxide?
The InChIKey is LAVCKPLLTUXLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5OS.Li/c5-6-3-1-2-4-6;/h1-3H,4H2;/q-1;+1.
What are the key properties of lithium 2,5-dihydrothiophen-5-ide 1-oxide?
lithium 2,5-dihydrothiophen-5-ide 1-oxide has a molecular weight of 108.09 g/mol, XLogP of -2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,5-dihydrothiophen-5-ide 1-oxide is sourced from PubChem (CID 134906252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).