2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole
TL;DR: 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole (CAS 16368-49-3) 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-methyl-6-(trifluoromethyl)-1,3-benzothiazole
Also Known As: 2-methyl-6-(trifluoromethyl)-1,3-benzothiazole, 2-Methyl-6-(trifluoromethyl)benzo[d]thiazole, Benzothiazole, 2-methyl-6-(trifluoromethyl)- (8CI), 2-methyl-6-(trifluoromethyl)benzothiazole, Benzothiazole, 2-methyl-6-(trifluoromethyl)-
| Molecular Formula | C9H6F3NS |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | 3.62352 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.0173 |
| Heavy Atoms | 14 |
| Complexity | 472.35208 |
Chemical Identifiers
| CAS Number | 16368-49-3 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)C(F)(F)F |
Product Overview
2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole (CAS 16368-49-3), with molecular formula C9H6F3NS and molecular weight 217.02 g/mol. IUPAC: 2-methyl-6-(trifluoromethyl)-1,3-benzothiazole.
Chemical Property Profile of 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole
Property Insights of 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole
The XLogP value of 3.62352 indicates that 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 2 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-Methyl-6-(trifluoromethyl)-1,3-benzothiazole?
The CAS number of 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole is 16368-49-3.
What is the molecular formula of 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole?
The molecular formula of 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole is C9H6F3NS.
What is the molecular weight of 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole?
The molecular weight of 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole is 217.02 g/mol.
Where can I buy 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole?
You can request a quote for 2-Methyl-6-(trifluoromethyl)-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-Methyl-6-(trifluoromethyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-(trifluoromethyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.