6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole
TL;DR: 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole (CAS 339207-06-6) is a chemical compound with molecular formula C21H19NOS2 and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-2-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: 6-ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole, 6-ethoxy-2-(((2-methylnaphthalen-1-yl)methyl)thio)benzo[d]thiazole, 6-ethoxy-2-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazole, 6-ethoxy-2-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1,3-benzothiazole, ethyl 2-{[(2-methyl-1-naphthyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl ether
| Molecular Formula | C21H19NOS2 |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | 6.44892 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.09082 |
| Heavy Atoms | 25 |
| Complexity | 1038.6184 |
Chemical Identifiers
| CAS Number | 339207-06-6 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=CC4=CC=CC=C43)C |
Product Overview
6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole (CAS 339207-06-6), with molecular formula C21H19NOS2 and molecular weight 365.09 g/mol. IUPAC: 6-ethoxy-2-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole
Property Insights of 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole
The XLogP value of 6.44892 indicates that 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole has 0 hydrogen bond donor(s) and 4 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-methylnaphthyl)methylthio]benzothiazole?
The CAS number of 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole is 339207-06-6.
What is the molecular formula of 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole?
The molecular formula of 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole is C21H19NOS2.
What is the molecular weight of 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole?
The molecular weight of 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole is 365.09 g/mol.
Where can I buy 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole?
You can request a quote for 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]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-methylnaphthyl)methylthio]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxy-2-[(2-methylnaphthyl)methylthio]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.