2-Sulfanylethyl octadec-9-enoate
TL;DR: 2-Sulfanylethyl octadec-9-enoate (CAS 59118-78-4) is a chemical compound with molecular formula C20H38O2S and molecular weight 342.25925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-sulfanylethyl octadec-9-enoate
Also Known As: 2-Mercaptoethyl oleate, 2-sulfanylethyl octadec-9-enoate, 2-sulfanylethyl (Z)-octadec-9-enoate
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H38O2S |
| Molecular Weight | 342.25925 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 342.25925 Da |
| Heavy Atoms | 23 |
| Complexity | 277.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCCS |
| InChIKey | WEMJWKKJHSZRQT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Sulfanylethyl octadec-9-enoate
Property Insights of 2-Sulfanylethyl octadec-9-enoate
The XLogP value of 7.9 indicates that 2-Sulfanylethyl octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 2-Sulfanylethyl octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Sulfanylethyl octadec-9-enoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Sulfanylethyl octadec-9-enoate?
The CAS number of 2-Sulfanylethyl octadec-9-enoate is 59118-78-4.
What is the molecular formula of 2-Sulfanylethyl octadec-9-enoate?
The molecular formula of 2-Sulfanylethyl octadec-9-enoate is C20H38O2S.
What is the molecular weight of 2-Sulfanylethyl octadec-9-enoate?
The molecular weight of 2-Sulfanylethyl octadec-9-enoate is 342.25925 g/mol.
Where can I buy 2-Sulfanylethyl octadec-9-enoate?
You can request a quote for 2-Sulfanylethyl octadec-9-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Sulfanylethyl octadec-9-enoate?
Yes, CoreyChem provides custom synthesis services for 2-Sulfanylethyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.