Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole
TL;DR: Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole (CAS 5406-97-3) is a chemical compound with molecular formula C24H33ClN2S2 and molecular weight 448.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3-benzothiazole-2-thiolate;1-dodecylpyridin-1-ium
Also Known As: Vancide 26, Vancide 26 EC, Caswell No. 522, Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole, EPA Pesticide Chemical Code 051703
| Molecular Formula | C24H33ClN2S2 |
|---|---|
| Molecular Weight | 448.18 g/mol |
| LogP | 7.75 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 448.17737 |
| Heavy Atoms | 29 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 5406-97-3 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC2=C(C=C1Cl)N=C(S2)[S-] |
| InChIKey | NPUUGQIQOUWACG-UHFFFAOYSA-M |
Product Overview
Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole (CAS 5406-97-3), with molecular formula C24H33ClN2S2 and molecular weight 448.18 g/mol. IUPAC: 5-chloro-1,3-benzothiazole-2-thiolate;1-dodecylpyridin-1-ium.
Chemical Property Profile of Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole
Property Insights of Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole
The XLogP value of 7.75 indicates that Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.0 Ų, Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole?
The CAS number of Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole is 5406-97-3.
What is the molecular formula of Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole?
The molecular formula of Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole is C24H33ClN2S2.
What is the molecular weight of Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole?
The molecular weight of Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole is 448.18 g/mol.
Where can I buy Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole?
You can request a quote for Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.