lithium 11-sulfanylundecanoate

C11H21LiO2S — CID 175840198

IUPAClithium 11-sulfanylundecanoate
SMILESO=C([O-])CCCCCCCCCCS.[Li+]
InChIInChI=1S/C11H22O2S.Li/c12-11(13)9-7-5-3-1-2-4-6-8-10-14;/h14H,1-10H2,(H,12,13);/q;+1/p-1
InChIKeyKPJWARHHKASXBM-UHFFFAOYSA-M
MW224.29 g/mol
LogP-0.82
Rot. Bonds10

About lithium 11-sulfanylundecanoate

lithium 11-sulfanylundecanoate (PubChem CID 175840198) has the molecular formula C11H21LiO2S and a molecular weight of 224.29 g/mol. Its IUPAC name is lithium 11-sulfanylundecanoate.

Molecular Properties

Compound Namelithium 11-sulfanylundecanoate
PubChem CID175840198
Molecular FormulaC11H21LiO2S
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Namelithium 11-sulfanylundecanoate
SMILESO=C([O-])CCCCCCCCCCS.[Li+]
InChIInChI=1S/C11H22O2S.Li/c12-11(13)9-7-5-3-1-2-4-6-8-10-14;/h14H,1-10H2,(H,12,13);/q;+1/p-1
InChIKeyKPJWARHHKASXBM-UHFFFAOYSA-M
XLogP-0.82
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

lithium 19-sulfanylnonadecanoate
CID 175840181
sodium 9-sulfanylnonanoate
CID 175840191
tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
lithium;hexanedioate;hydron
CID 87066964
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289

Frequently Asked Questions

What is the IUPAC name of lithium 11-sulfanylundecanoate?
The IUPAC name of lithium 11-sulfanylundecanoate (CID 175840198) is lithium 11-sulfanylundecanoate.
What is the SMILES notation for lithium 11-sulfanylundecanoate?
The canonical SMILES for lithium 11-sulfanylundecanoate is O=C([O-])CCCCCCCCCCS.[Li+].
What is the InChIKey of lithium 11-sulfanylundecanoate?
The InChIKey is KPJWARHHKASXBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22O2S.Li/c12-11(13)9-7-5-3-1-2-4-6-8-10-14;/h14H,1-10H2,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 11-sulfanylundecanoate?
lithium 11-sulfanylundecanoate has a molecular weight of 224.29 g/mol, XLogP of -0.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 11-sulfanylundecanoate is sourced from PubChem (CID 175840198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).