S-Ethyl hexanethioate
TL;DR: S-Ethyl hexanethioate (CAS 2450-12-6) is a chemical compound with molecular formula C8H16OS and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl hexanethioate
Also Known As: S-Ethyl hexanethioate, S-Ethyl hexanethioate #, HexanethioicacidS-ethylester, 1-(ethylsulfanyl)hexan-1-one, Hexanethioic acid S-ethyl ester
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2450-12-6 |
|---|---|
| SMILES | CCCCCC(=O)SCC |
| InChIKey | BTAOYCNQKIYVQA-UHFFFAOYSA-N |
Product Overview
S-Ethyl hexanethioate (CAS 2450-12-6), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: S-ethyl hexanethioate.
Chemical Property Profile of S-Ethyl hexanethioate
Property Insights of S-Ethyl hexanethioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl hexanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-Ethyl hexanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Ethyl hexanethioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Ethyl hexanethioate?
The CAS number of S-Ethyl hexanethioate is 2450-12-6.
What is the molecular formula of S-Ethyl hexanethioate?
The molecular formula of S-Ethyl hexanethioate is C8H16OS.
What is the molecular weight of S-Ethyl hexanethioate?
The molecular weight of S-Ethyl hexanethioate is 160.09 g/mol.
Where can I buy S-Ethyl hexanethioate?
You can request a quote for S-Ethyl hexanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl hexanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl hexanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.