2-((2,6-Dichlorobenzyl)thio)acetic acid
TL;DR: 2-((2,6-Dichlorobenzyl)thio)acetic acid (CAS 65051-35-6) is a chemical compound with molecular formula C9H8Cl2O2S and molecular weight 249.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]acetic acid
Also Known As: 2-((2,6-Dichlorobenzyl)thio)acetic acid, (2,6-Dichloro-benzylsulfanyl)-acetic acid, 2-[(2,6-dichlorophenyl)methylsulfanyl]acetic Acid, (2,6-Dichlorobenzylsulfanyl)acetic acid, (2,6-dichlorobenzylthio)-acetic acid
| Molecular Formula | C9H8Cl2O2S |
|---|---|
| Molecular Weight | 249.96 g/mol |
| LogP | 3.3112 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.9622 |
| Heavy Atoms | 14 |
| Complexity | 321.3339 |
Chemical Identifiers
| CAS Number | 65051-35-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSCC(=O)O)Cl |
Product Overview
2-((2,6-Dichlorobenzyl)thio)acetic acid (CAS 65051-35-6), with molecular formula C9H8Cl2O2S and molecular weight 249.96 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-((2,6-Dichlorobenzyl)thio)acetic acid
Property Insights of 2-((2,6-Dichlorobenzyl)thio)acetic acid
The XLogP value of 3.3112 indicates that 2-((2,6-Dichlorobenzyl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-((2,6-Dichlorobenzyl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2,6-Dichlorobenzyl)thio)acetic acid has 1 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 2-((2,6-Dichlorobenzyl)thio)acetic acid?
The CAS number of 2-((2,6-Dichlorobenzyl)thio)acetic acid is 65051-35-6.
What is the molecular formula of 2-((2,6-Dichlorobenzyl)thio)acetic acid?
The molecular formula of 2-((2,6-Dichlorobenzyl)thio)acetic acid is C9H8Cl2O2S.
What is the molecular weight of 2-((2,6-Dichlorobenzyl)thio)acetic acid?
The molecular weight of 2-((2,6-Dichlorobenzyl)thio)acetic acid is 249.96 g/mol.
Where can I buy 2-((2,6-Dichlorobenzyl)thio)acetic acid?
You can request a quote for 2-((2,6-Dichlorobenzyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,6-Dichlorobenzyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,6-Dichlorobenzyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.