![[(2,6-Dichlorophenyl)sulfanyl]acetate structure](/static/products/2124/21248-45-3.webp)
[(2,6-Dichlorophenyl)sulfanyl]acetate
TL;DR: [(2,6-Dichlorophenyl)sulfanyl]acetate (CAS 21248-45-3) is a chemical compound with molecular formula C8H5Cl2O2S- and molecular weight 234.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dichlorophenyl)sulfanylacetate
Also Known As: 2-(2,6-dichlorophenyl)sulfanylacetate, [(2,6-Dichlorophenyl)sulfanyl]acetate
| Molecular Formula | C8H5Cl2O2S- |
|---|---|
| Molecular Weight | 234.94 g/mol |
| LogP | 1.8354 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.93874 |
| Heavy Atoms | 13 |
| Complexity | 307.6701 |
Chemical Identifiers
| CAS Number | 21248-45-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)SCC(=O)[O-])Cl |
Product Overview
[(2,6-Dichlorophenyl)sulfanyl]acetate (CAS 21248-45-3), with molecular formula C8H5Cl2O2S- and molecular weight 234.94 g/mol. IUPAC: 2-(2,6-dichlorophenyl)sulfanylacetate.
Chemical Property Profile of [(2,6-Dichlorophenyl)sulfanyl]acetate
Property Insights of [(2,6-Dichlorophenyl)sulfanyl]acetate
The XLogP value of 1.8354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2,6-Dichlorophenyl)sulfanyl]acetate. With a topological polar surface area (TPSA) of 40.13 Ų, [(2,6-Dichlorophenyl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2,6-Dichlorophenyl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 3 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 [(2,6-Dichlorophenyl)sulfanyl]acetate?
The CAS number of [(2,6-Dichlorophenyl)sulfanyl]acetate is 21248-45-3.
What is the molecular formula of [(2,6-Dichlorophenyl)sulfanyl]acetate?
The molecular formula of [(2,6-Dichlorophenyl)sulfanyl]acetate is C8H5Cl2O2S-.
What is the molecular weight of [(2,6-Dichlorophenyl)sulfanyl]acetate?
The molecular weight of [(2,6-Dichlorophenyl)sulfanyl]acetate is 234.94 g/mol.
Where can I buy [(2,6-Dichlorophenyl)sulfanyl]acetate?
You can request a quote for [(2,6-Dichlorophenyl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,6-Dichlorophenyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for [(2,6-Dichlorophenyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.