lithium 19-sulfanylnonadecanoate

C19H37LiO2S — CID 175840181

IUPAClithium 19-sulfanylnonadecanoate
SMILESO=C([O-])CCCCCCCCCCCCCCCCCCS.[Li+]
InChIInChI=1S/C19H38O2S.Li/c20-19(21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22;/h22H,1-18H2,(H,20,21);/q;+1/p-1
InChIKeyQACZXDXLXQTUAQ-UHFFFAOYSA-M
MW336.51 g/mol
LogP2.30
Rot. Bonds18

About lithium 19-sulfanylnonadecanoate

lithium 19-sulfanylnonadecanoate (PubChem CID 175840181) has the molecular formula C19H37LiO2S and a molecular weight of 336.51 g/mol. Its IUPAC name is lithium 19-sulfanylnonadecanoate.

Molecular Properties

Compound Namelithium 19-sulfanylnonadecanoate
PubChem CID175840181
Molecular FormulaC19H37LiO2S
Molecular Weight336.51 g/mol
Exact Mass336.27
IUPAC Namelithium 19-sulfanylnonadecanoate
SMILESO=C([O-])CCCCCCCCCCCCCCCCCCS.[Li+]
InChIInChI=1S/C19H38O2S.Li/c20-19(21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22;/h22H,1-18H2,(H,20,21);/q;+1/p-1
InChIKeyQACZXDXLXQTUAQ-UHFFFAOYSA-M
XLogP2.30
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.30
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'}

Analyze lithium 19-sulfanylnonadecanoate with MolForge

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

Launch Full Analysis

Related Compounds

lithium 11-sulfanylundecanoate
CID 175840198
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 19-sulfanylnonadecanoate?
The IUPAC name of lithium 19-sulfanylnonadecanoate (CID 175840181) is lithium 19-sulfanylnonadecanoate.
What is the SMILES notation for lithium 19-sulfanylnonadecanoate?
The canonical SMILES for lithium 19-sulfanylnonadecanoate is O=C([O-])CCCCCCCCCCCCCCCCCCS.[Li+].
What is the InChIKey of lithium 19-sulfanylnonadecanoate?
The InChIKey is QACZXDXLXQTUAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H38O2S.Li/c20-19(21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22;/h22H,1-18H2,(H,20,21);/q;+1/p-1.
What are the key properties of lithium 19-sulfanylnonadecanoate?
lithium 19-sulfanylnonadecanoate has a molecular weight of 336.51 g/mol, XLogP of 2.30, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 19-sulfanylnonadecanoate is sourced from PubChem (CID 175840181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).