![2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole structure](/static/products/1636/16368-47-1.webp)
2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole
TL;DR: 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole (CAS 16368-47-1) is a chemical compound with molecular formula C9H6F3NO2S2 and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-(trifluoromethylsulfonyl)-1,3-benzothiazole
Also Known As: 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole, 2-Methyl-6-(trifluoromethanesulfonyl)-1,3-benzothiazole, 2-methyl-6-(trifluoromethylsulfonyl)-1,3-benzothiazole
| Molecular Formula | C9H6F3NO2S2 |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.97922 |
| Heavy Atoms | 17 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 16368-47-1 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C(F)(F)F |
| InChIKey | CGBGMLVHVZIGGJ-UHFFFAOYSA-N |
Product Overview
2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole (CAS 16368-47-1), with molecular formula C9H6F3NO2S2 and molecular weight 280.98 g/mol. IUPAC: 2-methyl-6-(trifluoromethylsulfonyl)-1,3-benzothiazole.
Chemical Property Profile of 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole
Property Insights of 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole
The XLogP value of 3.2 indicates that 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole. Following Lipinski's Rule of Five, 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole has 0 hydrogen bond donor(s) and 7 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)sulfonyl]benzothiazole?
The CAS number of 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole is 16368-47-1.
What is the molecular formula of 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole?
The molecular formula of 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole is C9H6F3NO2S2.
What is the molecular weight of 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole?
The molecular weight of 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole is 280.98 g/mol.
Where can I buy 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole?
You can request a quote for 2-Methyl-6-[(trifluoromethyl)sulfonyl]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)sulfonyl]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.