Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 42379-68-0) is a chemical compound with molecular formula C18H21NO4S2 and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
Also Known As: Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), 3-Ethyl-5-methoxy-2-methylbenzothiazolium p-toluenesulfonate, Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1), 2-methyl-3-ethyl-5-methoxybenzothiazolium tosylate, 3-Ethyl-5-methoxy-2-methylbenzothiazolium p-toluenesulphonate
| Molecular Formula | C18H21NO4S2 |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 3.42484 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.0912 |
| Heavy Atoms | 25 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 42379-68-0 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C=C(C=C2)OC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | RAPZVIBWDBUCCW-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 42379-68-0), with molecular formula C18H21NO4S2 and molecular weight 379.09 g/mol. IUPAC: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate.
Chemical Property Profile of Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 3.42484 indicates that Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1) has 0 hydrogen bond donor(s) and 5 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 Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1) is 42379-68-0.
What is the molecular formula of Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1) is C18H21NO4S2.
What is the molecular weight of Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1) is 379.09 g/mol.
Where can I buy Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Benzothiazolium, 3-ethyl-5-methoxy-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 Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.