2-(2-Cyanophenylthio)benzoic acid
TL;DR: 2-(2-Cyanophenylthio)benzoic acid (CAS 163725-12-0) is a chemical compound with molecular formula C14H9NO2S and molecular weight 255.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-cyanophenyl)sulfanylbenzoic acid
Also Known As: 2-(2-Cyanophenylthio)benzoic acid, 2-[(2-cyanophenyl)thio]benzoic acid, 2-(2-cyanophenyl)sulfanylbenzoic Acid, Benzoic acid, 2-[(2-cyanophenyl)thio]-, 2-[(2-CYANOPHENYL)SULFANYL]BENZOIC ACID
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H9NO2S |
| Molecular Weight | 255.0354 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.0354 Da |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
| SMILES | C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)O |
| InChIKey | FMGHXZOIAXNGOL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Cyanophenylthio)benzoic acid
Property Insights of 2-(2-Cyanophenylthio)benzoic acid
The XLogP value of 3.2 indicates that 2-(2-Cyanophenylthio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Cyanophenylthio)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Cyanophenylthio)benzoic acid has 1 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 2-(2-Cyanophenylthio)benzoic acid?
The CAS number of 2-(2-Cyanophenylthio)benzoic acid is 163725-12-0.
What is the molecular formula of 2-(2-Cyanophenylthio)benzoic acid?
The molecular formula of 2-(2-Cyanophenylthio)benzoic acid is C14H9NO2S.
What is the molecular weight of 2-(2-Cyanophenylthio)benzoic acid?
The molecular weight of 2-(2-Cyanophenylthio)benzoic acid is 255.0354 g/mol.
Where can I buy 2-(2-Cyanophenylthio)benzoic acid?
You can request a quote for 2-(2-Cyanophenylthio)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Cyanophenylthio)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Cyanophenylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.