1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium structure

1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium

TL;DR: 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium (CAS 2785-05-9) is a chemical compound with molecular formula C13H12NS+ and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium

Also Known As: 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium, 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium, 1,2-dimethylbenzo[e]benzothiazole, naphtho[1,2-d]thiazolium, 1,2-dimethyl-, 1,2-dimethylnaphtho[1,2-d][1,3]thiazol-1-ium

CAS: 2785-05-9
Molecular Formula C13H12NS+
Molecular Weight 214.07 g/mol
LogP 4.2
Topological Polar Surface Area 32.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 0
Exact Mass 214.06905
Heavy Atoms 15
Complexity 243.0

Chemical Identifiers

CAS Number 2785-05-9
SMILES CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C
InChIKey MQFVWWGIAINZAB-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Dyes & Pigments (2 patents) Heterocyclic Building Blocks (1 patents) Pharmaceutical Intermediates (3 patents) Photographic Chemicals (2 patents)

Product Overview

1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium (CAS 2785-05-9), with molecular formula C13H12NS+ and molecular weight 214.07 g/mol. IUPAC: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium.

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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.
View MSDS →

Chemical Property Profile of 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium

XLogP
4.2
TPSA (Topological Polar Surface Area)
32.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Rotatable Bonds
0
Heavy Atoms
15
Complexity
243.0
Exact Mass
214.06905
Monoisotopic Mass
214.06905
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 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium

The XLogP value of 4.2 indicates that 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.1 Ų, 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium has 0 hydrogen bond donor(s) and 1 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 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium?

The CAS number of 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium is 2785-05-9.

What is the molecular formula of 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium?

The molecular formula of 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium is C13H12NS+.

What is the molecular weight of 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium?

The molecular weight of 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium is 214.07 g/mol.

Where can I buy 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium?

You can request a quote for 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium?

Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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