2-Nonyl-1,3-benzothiazole
TL;DR: 2-Nonyl-1,3-benzothiazole (CAS 72101-53-2) is a chemical compound with molecular formula C16H23NS and molecular weight 261.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nonyl-1,3-benzothiazole
Also Known As: 2-nonyl-1,3-benzothiazole, Benzothiazole, 2-nonyl-, 2-nonylbenzo[d]thiazole, 2,7/2,8-DCDD ISOMER PAIR (13C12,)
| Molecular Formula | C16H23NS |
|---|---|
| Molecular Weight | 261.16 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 261.15512 |
| Heavy Atoms | 18 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 72101-53-2 |
|---|---|
| SMILES | CCCCCCCCCC1=NC2=CC=CC=C2S1 |
| InChIKey | AICWWPXXVFXLOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nonyl-1,3-benzothiazole (CAS 72101-53-2), with molecular formula C16H23NS and molecular weight 261.16 g/mol. IUPAC: 2-nonyl-1,3-benzothiazole.
Chemical Property Profile of 2-Nonyl-1,3-benzothiazole
Property Insights of 2-Nonyl-1,3-benzothiazole
The XLogP value of 6.8 indicates that 2-Nonyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Nonyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nonyl-1,3-benzothiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Nonyl-1,3-benzothiazole?
The CAS number of 2-Nonyl-1,3-benzothiazole is 72101-53-2.
What is the molecular formula of 2-Nonyl-1,3-benzothiazole?
The molecular formula of 2-Nonyl-1,3-benzothiazole is C16H23NS.
What is the molecular weight of 2-Nonyl-1,3-benzothiazole?
The molecular weight of 2-Nonyl-1,3-benzothiazole is 261.16 g/mol.
Where can I buy 2-Nonyl-1,3-benzothiazole?
You can request a quote for 2-Nonyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nonyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Nonyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.