2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one
TL;DR: 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one (CAS 147104-27-6) is a chemical compound with molecular formula C9H5ClFNOS and molecular weight 228.97644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one
Also Known As: 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one, 2-(3-Chloro-4-fluorophenyl)-3(2H)-isothiazolone, 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one, LY 266500, 2-(3-chloro-4-fluorophenyl)-2,3-dihydroisothiazol-3-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H5ClFNOS |
| Molecular Weight | 228.97644 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.97644 Da |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
| SMILES | C1=CC(=C(C=C1N2C(=O)C=CS2)Cl)F |
| InChIKey | OOOJWRSQJXGEDS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one
Property Insights of 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one. With a topological polar surface area (TPSA) of 45.6 Ų, 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one has 0 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-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one?
The CAS number of 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one is 147104-27-6.
What is the molecular formula of 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one?
The molecular formula of 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one is C9H5ClFNOS.
What is the molecular weight of 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one?
The molecular weight of 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one is 228.97644 g/mol.
Where can I buy 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one?
You can request a quote for 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.