Ethyl 2-(dodecylthio)acetate
TL;DR: Ethyl 2-(dodecylthio)acetate (CAS 88591-31-5) is a chemical compound with molecular formula C16H32O2S and molecular weight 288.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-dodecylsulfanylacetate
Also Known As: Ethyl 2-dodecylsulfanylacetate, Ethyl (dodecylsulfanyl)acetate, ETHYL 2-(DODECYLTHIO)ACETATE, Acetic acid, (dodecylthio)-, ethyl ester, dodecylmercapto-acetic acid ethyl ester
| Molecular Formula | C16H32O2S |
|---|---|
| Molecular Weight | 288.21 g/mol |
| LogP | 5.2036 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 288.2123 |
| Heavy Atoms | 19 |
| Complexity | 195.18796 |
Chemical Identifiers
| CAS Number | 88591-31-5 |
|---|---|
| SMILES | CCCCCCCCCCCCSCC(=O)OCC |
Product Overview
Ethyl 2-(dodecylthio)acetate (CAS 88591-31-5), with molecular formula C16H32O2S and molecular weight 288.21 g/mol. IUPAC: ethyl 2-dodecylsulfanylacetate.
Chemical Property Profile of Ethyl 2-(dodecylthio)acetate
Property Insights of Ethyl 2-(dodecylthio)acetate
The XLogP value of 5.2036 indicates that Ethyl 2-(dodecylthio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-(dodecylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(dodecylthio)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(dodecylthio)acetate?
The CAS number of Ethyl 2-(dodecylthio)acetate is 88591-31-5.
What is the molecular formula of Ethyl 2-(dodecylthio)acetate?
The molecular formula of Ethyl 2-(dodecylthio)acetate is C16H32O2S.
What is the molecular weight of Ethyl 2-(dodecylthio)acetate?
The molecular weight of Ethyl 2-(dodecylthio)acetate is 288.21 g/mol.
Where can I buy Ethyl 2-(dodecylthio)acetate?
You can request a quote for Ethyl 2-(dodecylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(dodecylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(dodecylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.