7-(Trifluoromethyl)-1,2-benzothiazol-3-one
TL;DR: 7-(Trifluoromethyl)-1,2-benzothiazol-3-one (CAS 159803-20-0) is a chemical compound with molecular formula C8H4F3NOS and molecular weight 219.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(trifluoromethyl)-1,2-benzothiazol-3-one
Also Known As: 7-(trifluoromethyl)-1,2-benzothiazol-3-one, 1,2-Benzisothiazol-3(2H)-one, 7-(trifluoromethyl)-, 7-Trifluoromethyl-1,2-benzisothiazol-3(2H)-one, 7-(trifluoromethyl)-1,2-benzothiazol-3(2h)-one, 1,2-Benzisothiazol[7-trifluoromethyl-3(2H)-ones]
| Molecular Formula | C8H4F3NOS |
|---|---|
| Molecular Weight | 219.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.99657 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 159803-20-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C(F)(F)F)SNC2=O |
| InChIKey | HQHCXQCVZRWEDI-UHFFFAOYSA-N |
Product Overview
7-(Trifluoromethyl)-1,2-benzothiazol-3-one (CAS 159803-20-0), with molecular formula C8H4F3NOS and molecular weight 219.00 g/mol. IUPAC: 7-(trifluoromethyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 7-(Trifluoromethyl)-1,2-benzothiazol-3-one
Property Insights of 7-(Trifluoromethyl)-1,2-benzothiazol-3-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Trifluoromethyl)-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 54.4 Ų, 7-(Trifluoromethyl)-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Trifluoromethyl)-1,2-benzothiazol-3-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
Frequently Asked Questions
What is the CAS number of 7-(Trifluoromethyl)-1,2-benzothiazol-3-one?
The CAS number of 7-(Trifluoromethyl)-1,2-benzothiazol-3-one is 159803-20-0.
What is the molecular formula of 7-(Trifluoromethyl)-1,2-benzothiazol-3-one?
The molecular formula of 7-(Trifluoromethyl)-1,2-benzothiazol-3-one is C8H4F3NOS.
What is the molecular weight of 7-(Trifluoromethyl)-1,2-benzothiazol-3-one?
The molecular weight of 7-(Trifluoromethyl)-1,2-benzothiazol-3-one is 219.00 g/mol.
Where can I buy 7-(Trifluoromethyl)-1,2-benzothiazol-3-one?
You can request a quote for 7-(Trifluoromethyl)-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Trifluoromethyl)-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(Trifluoromethyl)-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.