2-(3-Chlorophenylthio)benzoic acid
TL;DR: 2-(3-Chlorophenylthio)benzoic acid (CAS 13420-58-1) is a chemical compound with molecular formula C13H9ClO2S and molecular weight 264.0012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chlorophenyl)sulfanylbenzoic acid
Also Known As: 2-(3-Chlorophenylthio)benzoic acid, 2-(3-chlorophenyl)sulfanylbenzoic acid, 2-[(3-chlorophenyl)thio]benzoic acid, Benzoic acid, 2-((3-chlorophenyl)thio)-, benzoic acid, 2-[(3-chlorophenyl)thio]-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9ClO2S |
| Molecular Weight | 264.0012 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0012 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=CC(=CC=C2)Cl |
| InChIKey | JEJVFFQDODZHIV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Chlorophenylthio)benzoic acid
Property Insights of 2-(3-Chlorophenylthio)benzoic acid
The XLogP value of 5.5 indicates that 2-(3-Chlorophenylthio)benzoic 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-(3-Chlorophenylthio)benzoic acid. Following Lipinski's Rule of Five, 2-(3-Chlorophenylthio)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(3-Chlorophenylthio)benzoic acid?
The CAS number of 2-(3-Chlorophenylthio)benzoic acid is 13420-58-1.
What is the molecular formula of 2-(3-Chlorophenylthio)benzoic acid?
The molecular formula of 2-(3-Chlorophenylthio)benzoic acid is C13H9ClO2S.
What is the molecular weight of 2-(3-Chlorophenylthio)benzoic acid?
The molecular weight of 2-(3-Chlorophenylthio)benzoic acid is 264.0012 g/mol.
Where can I buy 2-(3-Chlorophenylthio)benzoic acid?
You can request a quote for 2-(3-Chlorophenylthio)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Chlorophenylthio)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-Chlorophenylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.