O-ethyl 2-phenoxyethylsulfanylmethanethioate
TL;DR: O-ethyl 2-phenoxyethylsulfanylmethanethioate (CAS 16654-50-5) is a chemical compound with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 2-phenoxyethylsulfanylmethanethioate
Also Known As: O-ethyl 2-phenoxyethylsulfanylmethanethioate, Carbonic acid, dithio-, O-ethyl S-(2-phenoxyethyl) ester, o-Ethyl S-(2-phenoxyethyl) dithiocarbonate, ethoxy[(2-phenoxyethyl)sulfanyl]methanethione, O-ethyl S-(2-phenoxyethyl) carbonodithioate
| Molecular Formula | C11H14O2S2 |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.04352 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 16654-50-5 |
|---|---|
| SMILES | CCOC(=S)SCCOC1=CC=CC=C1 |
| InChIKey | WPHKLVRVNKKMOE-UHFFFAOYSA-N |
Product Overview
O-ethyl 2-phenoxyethylsulfanylmethanethioate (CAS 16654-50-5), with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol. IUPAC: O-ethyl 2-phenoxyethylsulfanylmethanethioate.
Chemical Property Profile of O-ethyl 2-phenoxyethylsulfanylmethanethioate
Property Insights of O-ethyl 2-phenoxyethylsulfanylmethanethioate
The XLogP value of 3.7 indicates that O-ethyl 2-phenoxyethylsulfanylmethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl 2-phenoxyethylsulfanylmethanethioate. Following Lipinski's Rule of Five, O-ethyl 2-phenoxyethylsulfanylmethanethioate has 0 hydrogen bond donor(s) and 4 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 O-ethyl 2-phenoxyethylsulfanylmethanethioate?
The CAS number of O-ethyl 2-phenoxyethylsulfanylmethanethioate is 16654-50-5.
What is the molecular formula of O-ethyl 2-phenoxyethylsulfanylmethanethioate?
The molecular formula of O-ethyl 2-phenoxyethylsulfanylmethanethioate is C11H14O2S2.
What is the molecular weight of O-ethyl 2-phenoxyethylsulfanylmethanethioate?
The molecular weight of O-ethyl 2-phenoxyethylsulfanylmethanethioate is 242.04 g/mol.
Where can I buy O-ethyl 2-phenoxyethylsulfanylmethanethioate?
You can request a quote for O-ethyl 2-phenoxyethylsulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl 2-phenoxyethylsulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 2-phenoxyethylsulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.