![Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) structure](/static/products/4295/42952-29-4.webp)
Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 42952-29-4) is a chemical compound with molecular formula C21H21NO3S2 and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium;4-methylbenzenesulfonate
Also Known As: 1-Ethyl-2-methylnaphtho(1,2-d)thiazolium toluene-p-sulphonate, 1-Ethyl-2-methylnaphtho(1,2-d)thiazolium 4-methylbenzene sulfonate, 1-ETHYL-2-METHYLNAPHTHO[1,2-D]THIAZOLIUM P-TOLUENESULFONATE, Naphtho(1,2-d)thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1), Naphtho(1,2-d)thiazolium, 1-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C21H21NO3S2 |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 4.56944 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 399.09628 |
| Heavy Atoms | 27 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 42952-29-4 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | KTTNCJKZKIRUTI-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 42952-29-4), with molecular formula C21H21NO3S2 and molecular weight 399.10 g/mol. IUPAC: 1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium;4-methylbenzenesulfonate.
Chemical Property Profile of Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 4.56944 indicates that Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) has 0 hydrogen bond donor(s) and 4 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 Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) is 42952-29-4.
What is the molecular formula of Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) is C21H21NO3S2.
What is the molecular weight of Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) is 399.10 g/mol.
Where can I buy Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (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-methyl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.