![6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole structure](/static/products/3319/331982-33-3.webp)
6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole
TL;DR: 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole (CAS 331982-33-3) is a chemical compound with molecular formula C16H11F3N2O3S2 and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole
Also Known As: BAS 00728985, 6-ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole, 6-ethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole, 6-Ethoxy-2-(2-nitro-4-trifluoromethyl-phenylsulfanyl)-benzothiazole, 6-ethoxy-2-((2-nitro-4-(trifluoromethyl)phenyl)thio)benzo[d]thiazole
| Molecular Formula | C16H11F3N2O3S2 |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 5.7732 |
| Topological Polar Surface Area | 65.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.01633 |
| Heavy Atoms | 26 |
| Complexity | 973.0186 |
Chemical Identifiers
| CAS Number | 331982-33-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole (CAS 331982-33-3), with molecular formula C16H11F3N2O3S2 and molecular weight 400.02 g/mol. IUPAC: 6-ethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole
Property Insights of 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole
The XLogP value of 5.7732 indicates that 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole. Following Lipinski's Rule of Five, 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole?
The CAS number of 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole is 331982-33-3.
What is the molecular formula of 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole?
The molecular formula of 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole is C16H11F3N2O3S2.
What is the molecular weight of 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole?
The molecular weight of 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole is 400.02 g/mol.
Where can I buy 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole?
You can request a quote for 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-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 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.