![Methyl 2-[(2,6-dichlorobenzyl)thio]acetate structure](/static/products/1186/118608-90-5.webp)
Methyl 2-[(2,6-dichlorobenzyl)thio]acetate
TL;DR: Methyl 2-[(2,6-dichlorobenzyl)thio]acetate (CAS 118608-90-5) is a chemical compound with molecular formula C10H10Cl2O2S and molecular weight 263.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate
Also Known As: methyl 2-[(2,6-dichlorobenzyl)thio]acetate, methyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate, methyl [(2,6-dichlorobenzyl)sulfanyl]acetate, Acetic acid,2-[[(2,6-dichlorophenyl)methyl]thio]-, methyl ester, methyl 2-[(2,6-dichlorophenyl)methylthio]acetate
| Molecular Formula | C10H10Cl2O2S |
|---|---|
| Molecular Weight | 263.98 g/mol |
| LogP | 3.3996 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.97784 |
| Heavy Atoms | 15 |
| Complexity | 335.02567 |
Chemical Identifiers
| CAS Number | 118608-90-5 |
|---|---|
| SMILES | COC(=O)CSCC1=C(C=CC=C1Cl)Cl |
Product Overview
Methyl 2-[(2,6-dichlorobenzyl)thio]acetate (CAS 118608-90-5), with molecular formula C10H10Cl2O2S and molecular weight 263.98 g/mol. IUPAC: methyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate.
Chemical Property Profile of Methyl 2-[(2,6-dichlorobenzyl)thio]acetate
Property Insights of Methyl 2-[(2,6-dichlorobenzyl)thio]acetate
The XLogP value of 3.3996 indicates that Methyl 2-[(2,6-dichlorobenzyl)thio]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, Methyl 2-[(2,6-dichlorobenzyl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(2,6-dichlorobenzyl)thio]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 Methyl 2-[(2,6-dichlorobenzyl)thio]acetate?
The CAS number of Methyl 2-[(2,6-dichlorobenzyl)thio]acetate is 118608-90-5.
What is the molecular formula of Methyl 2-[(2,6-dichlorobenzyl)thio]acetate?
The molecular formula of Methyl 2-[(2,6-dichlorobenzyl)thio]acetate is C10H10Cl2O2S.
What is the molecular weight of Methyl 2-[(2,6-dichlorobenzyl)thio]acetate?
The molecular weight of Methyl 2-[(2,6-dichlorobenzyl)thio]acetate is 263.98 g/mol.
Where can I buy Methyl 2-[(2,6-dichlorobenzyl)thio]acetate?
You can request a quote for Methyl 2-[(2,6-dichlorobenzyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2,6-dichlorobenzyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2,6-dichlorobenzyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.