((2,4-Dichloro-5-methylphenyl)thio)acetic acid
TL;DR: ((2,4-Dichloro-5-methylphenyl)thio)acetic acid (CAS 71735-21-2) 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-(2,4-dichloro-5-methylphenyl)sulfanylacetic acid
Also Known As: EINECS 275-933-1, ((2,4-Dichloro-5-methylphenyl)thio)acetic acid, BENZYL-D7CYANIDE,98ATOM%D, 2-(2,4-DICHLORO-5-METHYLPHENYLTHIO)ACETIC ACID, 2-[(2,4-dichloro-5-methylphenyl)sulfanyl]acetic acid
| Molecular Formula | C9H8Cl2O2S |
|---|---|
| Molecular Weight | 249.96 g/mol |
| LogP | 3.47852 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.9622 |
| Heavy Atoms | 14 |
| Complexity | 366.07474 |
Chemical Identifiers
| CAS Number | 71735-21-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)Cl)SCC(=O)O |
Product Overview
((2,4-Dichloro-5-methylphenyl)thio)acetic acid (CAS 71735-21-2), with molecular formula C9H8Cl2O2S and molecular weight 249.96 g/mol. IUPAC: 2-(2,4-dichloro-5-methylphenyl)sulfanylacetic acid.
Chemical Property Profile of ((2,4-Dichloro-5-methylphenyl)thio)acetic acid
Property Insights of ((2,4-Dichloro-5-methylphenyl)thio)acetic acid
The XLogP value of 3.47852 indicates that ((2,4-Dichloro-5-methylphenyl)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, ((2,4-Dichloro-5-methylphenyl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((2,4-Dichloro-5-methylphenyl)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 ((2,4-Dichloro-5-methylphenyl)thio)acetic acid?
The CAS number of ((2,4-Dichloro-5-methylphenyl)thio)acetic acid is 71735-21-2.
What is the molecular formula of ((2,4-Dichloro-5-methylphenyl)thio)acetic acid?
The molecular formula of ((2,4-Dichloro-5-methylphenyl)thio)acetic acid is C9H8Cl2O2S.
What is the molecular weight of ((2,4-Dichloro-5-methylphenyl)thio)acetic acid?
The molecular weight of ((2,4-Dichloro-5-methylphenyl)thio)acetic acid is 249.96 g/mol.
Where can I buy ((2,4-Dichloro-5-methylphenyl)thio)acetic acid?
You can request a quote for ((2,4-Dichloro-5-methylphenyl)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 ((2,4-Dichloro-5-methylphenyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((2,4-Dichloro-5-methylphenyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.