7-Fluoro-1,2-benzothiazol-3-one
TL;DR: 7-Fluoro-1,2-benzothiazol-3-one (CAS 159803-13-1) is a chemical compound with molecular formula C7H4FNOS and molecular weight 168.99976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-fluoro-1,2-benzothiazol-3-one
Also Known As: 7-fluoro-1,2-benzothiazol-3-one, 7-Fluorobenzisothiazol-3(2H)-one, 7-fluoro-2,3-dihydro-1,2-benzothiazol-3-one, 7-Fluorobenzo[d]isothiazol-3(2H)-one, 7-fluoro-1,2-benzothiazol-3(2h)-one
Technical Specifications
| Molecular Formula | C7H4FNOS |
| Molecular Weight | 168.99976 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.99976 Da |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
| SMILES | C1=CC2=C(C(=C1)F)SNC2=O |
| InChIKey | ZYKJOSTUGJOCHI-UHFFFAOYSA-N |
Chemical Property Profile of 7-Fluoro-1,2-benzothiazol-3-one
Property Insights of 7-Fluoro-1,2-benzothiazol-3-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Fluoro-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 54.4 Ų, 7-Fluoro-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Fluoro-1,2-benzothiazol-3-one 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 7-Fluoro-1,2-benzothiazol-3-one?
The CAS number of 7-Fluoro-1,2-benzothiazol-3-one is 159803-13-1.
What is the molecular formula of 7-Fluoro-1,2-benzothiazol-3-one?
The molecular formula of 7-Fluoro-1,2-benzothiazol-3-one is C7H4FNOS.
What is the molecular weight of 7-Fluoro-1,2-benzothiazol-3-one?
The molecular weight of 7-Fluoro-1,2-benzothiazol-3-one is 168.99976 g/mol.
Where can I buy 7-Fluoro-1,2-benzothiazol-3-one?
You can request a quote for 7-Fluoro-1,2-benzothiazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Fluoro-1,2-benzothiazol-3-one?
Yes, CoreyChem provides custom synthesis services for 7-Fluoro-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.