2-(2-Chloro-4-fluorophenylthio)acetic acid
TL;DR: 2-(2-Chloro-4-fluorophenylthio)acetic acid (CAS 175135-76-9) is a chemical compound with molecular formula C8H6ClFO2S and molecular weight 219.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-fluorophenyl)sulfanylacetic acid
Also Known As: Maybridge3_000536, 2-(2-CHLORO-4-FLUOROPHENYLTHIO)ACETIC ACID, 2-[(2-chloro-4-fluorophenyl)sulfanyl]acetic acid, 2-(2-chloro-4-fluorophenyl)sulfanylacetic acid, IDI1_011923
| Molecular Formula | C8H6ClFO2S |
|---|---|
| Molecular Weight | 219.98 g/mol |
| LogP | 2.6558 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.9761 |
| Heavy Atoms | 13 |
| Complexity | 329.9201 |
Chemical Identifiers
| CAS Number | 175135-76-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)Cl)SCC(=O)O |
Product Overview
2-(2-Chloro-4-fluorophenylthio)acetic acid (CAS 175135-76-9), with molecular formula C8H6ClFO2S and molecular weight 219.98 g/mol. IUPAC: 2-(2-chloro-4-fluorophenyl)sulfanylacetic acid.
Chemical Property Profile of 2-(2-Chloro-4-fluorophenylthio)acetic acid
Property Insights of 2-(2-Chloro-4-fluorophenylthio)acetic acid
The XLogP value of 2.6558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloro-4-fluorophenylthio)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(2-Chloro-4-fluorophenylthio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-4-fluorophenylthio)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-Chloro-4-fluorophenylthio)acetic acid?
The CAS number of 2-(2-Chloro-4-fluorophenylthio)acetic acid is 175135-76-9.
What is the molecular formula of 2-(2-Chloro-4-fluorophenylthio)acetic acid?
The molecular formula of 2-(2-Chloro-4-fluorophenylthio)acetic acid is C8H6ClFO2S.
What is the molecular weight of 2-(2-Chloro-4-fluorophenylthio)acetic acid?
The molecular weight of 2-(2-Chloro-4-fluorophenylthio)acetic acid is 219.98 g/mol.
Where can I buy 2-(2-Chloro-4-fluorophenylthio)acetic acid?
You can request a quote for 2-(2-Chloro-4-fluorophenylthio)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-Chloro-4-fluorophenylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-4-fluorophenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.