2-Mercaptoethyl 2-ethylhexanoate
TL;DR: 2-Mercaptoethyl 2-ethylhexanoate (CAS 67859-57-8) is a chemical compound with molecular formula C10H20O2S and molecular weight 204.11841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-sulfanylethyl 2-ethylhexanoate
Also Known As: 2-Mercaptoethyl 2-ethylhexanoate, 2-sulfanylethyl 2-ethylhexanoate, 2-mercaptoethyl2-ethylhexanoate, Hexanoic acid, 2-ethyl-, 2-mercaptoethyl ester, 2-Ethylhexanoic acid 2-mercaptoethyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H20O2S |
| Molecular Weight | 204.11841 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 204.11841 Da |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
| SMILES | CCCCC(CC)C(=O)OCCS |
| InChIKey | GLZUYMAJJWRTGR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Mercaptoethyl 2-ethylhexanoate
Property Insights of 2-Mercaptoethyl 2-ethylhexanoate
The XLogP value of 3.2 indicates that 2-Mercaptoethyl 2-ethylhexanoate 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-Mercaptoethyl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptoethyl 2-ethylhexanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Mercaptoethyl 2-ethylhexanoate?
The CAS number of 2-Mercaptoethyl 2-ethylhexanoate is 67859-57-8.
What is the molecular formula of 2-Mercaptoethyl 2-ethylhexanoate?
The molecular formula of 2-Mercaptoethyl 2-ethylhexanoate is C10H20O2S.
What is the molecular weight of 2-Mercaptoethyl 2-ethylhexanoate?
The molecular weight of 2-Mercaptoethyl 2-ethylhexanoate is 204.11841 g/mol.
Where can I buy 2-Mercaptoethyl 2-ethylhexanoate?
You can request a quote for 2-Mercaptoethyl 2-ethylhexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Mercaptoethyl 2-ethylhexanoate?
Yes, CoreyChem provides custom synthesis services for 2-Mercaptoethyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.