![5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one structure](/static/products/1598/159803-18-6.webp)
5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one
TL;DR: 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one (CAS 159803-18-6) is a chemical compound with molecular formula C8H4F3NOS and molecular weight 218.99657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(trifluoromethyl)-1,2-benzothiazol-3-one
Also Known As: 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one, 5-(trifluoromethyl)-1,2-benzothiazol-3-one, 5-(trifluoromethyl)-2,3-dihydro-1,2-benzothiazol-3-one, 1,2-Benzisothiazol-3(2H)-one, 5-(trifluoromethyl)-, 5-Trifluoromethyl-1,2-benzisothiazol-3(2H)-one
Technical Specifications
| Molecular Formula | C8H4F3NOS |
| Molecular Weight | 218.99657 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.99657 Da |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
| SMILES | C1=CC2=C(C=C1C(F)(F)F)C(=O)NS2 |
| InChIKey | WPUVZBDTFXFXSQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one
Property Insights of 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one has 1 hydrogen bond donor(s) and 5 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-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one?
The CAS number of 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one is 159803-18-6.
What is the molecular formula of 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one?
The molecular formula of 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one is C8H4F3NOS.
What is the molecular weight of 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one?
The molecular weight of 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one is 218.99657 g/mol.
Where can I buy 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one?
You can request a quote for 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.