![2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid structure](/static/products/1588/15887-84-0.webp)
2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid
TL;DR: 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid (CAS 15887-84-0) is a chemical compound with molecular formula C14H11ClO2S and molecular weight 278.0168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)methylsulfanyl]benzoic acid
Also Known As: 2-[(4-chlorobenzyl)sulfanyl]benzenecarboxylic acid, 2-[(4-chlorobenzyl)thio]benzoic acid, 2-((4-Chlorobenzyl)thio)benzoic acid, ZERO/006239, 2-[(4-chlorobenzyl)sulfanyl]benzoic acid
Technical Specifications
| Molecular Formula | C14H11ClO2S |
| Molecular Weight | 278.0168 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0168 Da |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)Cl |
| InChIKey | XYLALGWPEGHXHS-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid
Property Insights of 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid
The XLogP value of 4.1 indicates that 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid. Following Lipinski's Rule of Five, 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic 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
What is the CAS number of 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid?
The CAS number of 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid is 15887-84-0.
What is the molecular formula of 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid?
The molecular formula of 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid is C14H11ClO2S.
What is the molecular weight of 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid?
The molecular weight of 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid is 278.0168 g/mol.
Where can I buy 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid?
You can request a quote for 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.