![[(2-Chlorobenzyl)thio]acetic acid structure](/static/products/6651/66516-65-2.webp)
[(2-Chlorobenzyl)thio]acetic acid
TL;DR: [(2-Chlorobenzyl)thio]acetic acid (CAS 66516-65-2) is a chemical compound with molecular formula C9H9ClO2S and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]acetic acid
Also Known As: [(2-chlorobenzyl)thio]acetic acid|2-((2-Chlorobenzyl)thio)acetic acid|o-Chlorobenzylmercaptoacetic acid|2-[(2-chlorophenyl)methylsulfanyl]acetic acid|2-{[(2-chlorophenyl)methyl]sulfanyl}acetic acid|2-((2-Chlorobenzyl)thio)aceticacid|SP4203|Acetic acid, [[ (2-chlorophenyl)methyl]thio]-|[(2-chlorobenzyl)sulfanyl]acetic acid|[(2-CHLOROBENZYL)THIO]ACETICACID|NCGC00341451-01|Acetic acid, [[(2-chlorophenyl)methyl]thio]-|W-9758|{[(2-CHLOROPHENYL)METHYL]SULFANYL}ACETIC ACID|AB01332238-02
| Molecular Formula | C9H9ClO2S |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.00117 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 66516-65-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSCC(=O)O)Cl |
| InChIKey | WRXHOHCNQNSYIN-UHFFFAOYSA-N |
Product Overview
[(2-Chlorobenzyl)thio]acetic acid (CAS 66516-65-2), with molecular formula C9H9ClO2S and molecular weight 216.00 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of [(2-Chlorobenzyl)thio]acetic acid
Property Insights of [(2-Chlorobenzyl)thio]acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Chlorobenzyl)thio]acetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Chlorobenzyl)thio]acetic acid. Following Lipinski's Rule of Five, [(2-Chlorobenzyl)thio]acetic acid has 1 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 [(2-Chlorobenzyl)thio]acetic acid?
The CAS number of [(2-Chlorobenzyl)thio]acetic acid is 66516-65-2.
What is the molecular formula of [(2-Chlorobenzyl)thio]acetic acid?
The molecular formula of [(2-Chlorobenzyl)thio]acetic acid is C9H9ClO2S.
What is the molecular weight of [(2-Chlorobenzyl)thio]acetic acid?
The molecular weight of [(2-Chlorobenzyl)thio]acetic acid is 216.00 g/mol.
Where can I buy [(2-Chlorobenzyl)thio]acetic acid?
You can request a quote for [(2-Chlorobenzyl)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-Chlorobenzyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(2-Chlorobenzyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.