Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) structure

Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)

TL;DR: Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) (CAS 41426-11-3) is a chemical compound with molecular formula C17H21NO4S3 and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

1-ethyl-2-ethylsulfanylbenzo[e][1,3]benzothiazol-1-ium;ethyl sulfate

Also Known As: Naphtho(1,2-d)thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate, Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate, Ethyl 1-ethyl-2-(ethylthio)naphtho(1,2-d)thiazolium sulphate, Naphtho(1,2-d)thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1), Ethyl 1-ethyl-2-(ethylthio)naphtho[1,2-d]thiazolium sulphate

CAS: 41426-11-3
Molecular Formula C17H21NO4S3
Molecular Weight 399.06 g/mol
LogP 3.957
Topological Polar Surface Area 132.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 399.06326
Heavy Atoms 25
Complexity 387.0

Chemical Identifiers

CAS Number 41426-11-3
SMILES CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)SCC.CCOS(=O)(=O)[O-]
InChIKey IFWXWPGIVCIFJW-UHFFFAOYSA-M

Product Overview

Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) (CAS 41426-11-3), with molecular formula C17H21NO4S3 and molecular weight 399.06 g/mol. IUPAC: 1-ethyl-2-ethylsulfanylbenzo[e][1,3]benzothiazol-1-ium;ethyl sulfate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)

XLogP
3.957
TPSA (Topological Polar Surface Area)
132.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
4
Heavy Atoms
25
Complexity
387.0
Exact Mass
399.06326
Monoisotopic Mass
399.06326
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)

The XLogP value of 3.957 indicates that Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1). Following Lipinski's Rule of Five, Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?

The CAS number of Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) is 41426-11-3.

What is the molecular formula of Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?

The molecular formula of Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) is C17H21NO4S3.

What is the molecular weight of Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?

The molecular weight of Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) is 399.06 g/mol.

Where can I buy Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?

You can request a quote for Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?

Yes, KEHONG BIO provides custom synthesis services for Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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