2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole
TL;DR: 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole (CAS 4225-10-9) is a chemical compound with molecular formula C9H6F3NS and molecular weight 217.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2,2-trifluoroethyl)-1,3-benzothiazole
Also Known As: 2-(2,2,2-trifluoroethyl)-1,3-benzothiazole, Benzothiazole,2-(2,2,2-trifluoroethyl)-, Benzothiazole, 2-(2,2,2-trifluoroethyl)-, Benzothiazole, 2-(2,2,2-trifluoroethyl)- (7CI,8CI)
| Molecular Formula | C9H6F3NS |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.0173 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 4225-10-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CC(F)(F)F |
| InChIKey | CGLQZTJGDKBJEW-UHFFFAOYSA-N |
Product Overview
2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole (CAS 4225-10-9), with molecular formula C9H6F3NS and molecular weight 217.02 g/mol. IUPAC: 2-(2,2,2-trifluoroethyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole
Property Insights of 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole
The XLogP value of 4.0 indicates that 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole has 0 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 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole?
The CAS number of 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole is 4225-10-9.
What is the molecular formula of 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole?
The molecular formula of 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole is C9H6F3NS.
What is the molecular weight of 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole?
The molecular weight of 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole is 217.02 g/mol.
Where can I buy 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole?
You can request a quote for 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.