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