2-(Octadecylthio)benzothiazole
TL;DR: 2-(Octadecylthio)benzothiazole (CAS 200618-68-4) is a chemical compound with molecular formula C25H41NS2 and molecular weight 419.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octadecylsulfanyl-1,3-benzothiazole
Also Known As: 2-(octadecylthio)benzothiazole, 2-(Octadecylsulfanyl)-1,3-benzothiazole, 2-octadecylsulfanyl-1,3-benzothiazole, 2-(Octadecylthio)benzo[d]thiazole, 2-octadecylsulfanylbenzothiazole
| Molecular Formula | C25H41NS2 |
|---|---|
| Molecular Weight | 419.27 g/mol |
| LogP | 9.6499 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 419.26804 |
| Heavy Atoms | 28 |
| Complexity | 574.3686 |
Chemical Identifiers
| CAS Number | 200618-68-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSC1=NC2=CC=CC=C2S1 |
Product Overview
2-(Octadecylthio)benzothiazole (CAS 200618-68-4), with molecular formula C25H41NS2 and molecular weight 419.27 g/mol. IUPAC: 2-octadecylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Octadecylthio)benzothiazole
Property Insights of 2-(Octadecylthio)benzothiazole
The XLogP value of 9.6499 indicates that 2-(Octadecylthio)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-(Octadecylthio)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Octadecylthio)benzothiazole 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 2-(Octadecylthio)benzothiazole?
The CAS number of 2-(Octadecylthio)benzothiazole is 200618-68-4.
What is the molecular formula of 2-(Octadecylthio)benzothiazole?
The molecular formula of 2-(Octadecylthio)benzothiazole is C25H41NS2.
What is the molecular weight of 2-(Octadecylthio)benzothiazole?
The molecular weight of 2-(Octadecylthio)benzothiazole is 419.27 g/mol.
Where can I buy 2-(Octadecylthio)benzothiazole?
You can request a quote for 2-(Octadecylthio)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Octadecylthio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Octadecylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.