![[(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid structure](/static/products/7142/714260-38-5.webp)
[(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid
TL;DR: [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid (CAS 714260-38-5) is a chemical compound with molecular formula C9H8ClFO2S and molecular weight 233.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetic acid
Also Known As: 2-{[(2-chloro-6-, [(2-chloro-6-fluorobenzyl)sulfanyl]acetic acid, 2-[(2-Chloro-6-fluorophenyl)methylsulphanyl]acetic acid, SDCCGMLS-0039399.P002, fluorophenyl)methyl]sulfanyl}acetic acid
| Molecular Formula | C9H8ClFO2S |
|---|---|
| Molecular Weight | 233.99 g/mol |
| LogP | 2.7969 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.99176 |
| Heavy Atoms | 14 |
| Complexity | 323.3339 |
Chemical Identifiers
| CAS Number | 714260-38-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSCC(=O)O)F |
Product Overview
[(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid (CAS 714260-38-5), with molecular formula C9H8ClFO2S and molecular weight 233.99 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid
Property Insights of [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid
The XLogP value of 2.7969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2-Chloro-6-fluorobenzyl)sulfanyl]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-Chloro-6-fluorobenzyl)sulfanyl]acetic acid?
The CAS number of [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid is 714260-38-5.
What is the molecular formula of [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid?
The molecular formula of [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid is C9H8ClFO2S.
What is the molecular weight of [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid?
The molecular weight of [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid is 233.99 g/mol.
Where can I buy [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid?
You can request a quote for [(2-Chloro-6-fluorobenzyl)sulfanyl]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-Chloro-6-fluorobenzyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(2-Chloro-6-fluorobenzyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.