5-Fluoro-2-mercaptobenzoic acid
TL;DR: 5-Fluoro-2-mercaptobenzoic acid (CAS 120121-60-0) is a chemical compound with molecular formula C7H5FO2S and molecular weight 171.99944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-fluoro-2-sulfanylbenzoic acid
Also Known As: 5-Fluoro-2-mercaptobenzoic acid, 5-fluoro-2-sulfanylbenzoic acid, Benzoic acid, 5-fluoro-2-mercapto-, 5-Fluoro-2-thiobenzoic acid, 5-fluorothiosalicylic Acid
Technical Specifications
| Molecular Formula | C7H5FO2S |
| Molecular Weight | 171.99944 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.99944 Da |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
| SMILES | C1=CC(=C(C=C1F)C(=O)O)S |
| InChIKey | WSOZOINWBSJTER-UHFFFAOYSA-N |
Chemical Property Profile of 5-Fluoro-2-mercaptobenzoic acid
Property Insights of 5-Fluoro-2-mercaptobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-2-mercaptobenzoic acid. With a topological polar surface area (TPSA) of 38.3 Ų, 5-Fluoro-2-mercaptobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-2-mercaptobenzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Fluoro-2-mercaptobenzoic acid?
The CAS number of 5-Fluoro-2-mercaptobenzoic acid is 120121-60-0.
What is the molecular formula of 5-Fluoro-2-mercaptobenzoic acid?
The molecular formula of 5-Fluoro-2-mercaptobenzoic acid is C7H5FO2S.
What is the molecular weight of 5-Fluoro-2-mercaptobenzoic acid?
The molecular weight of 5-Fluoro-2-mercaptobenzoic acid is 171.99944 g/mol.
Where can I buy 5-Fluoro-2-mercaptobenzoic acid?
You can request a quote for 5-Fluoro-2-mercaptobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Fluoro-2-mercaptobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Fluoro-2-mercaptobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.