2-((3-Iodo-2-propynyl)oxy)benzothiazole
TL;DR: 2-((3-Iodo-2-propynyl)oxy)benzothiazole (CAS 66558-72-3) is a chemical compound with molecular formula C10H6INOS and molecular weight 314.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-iodoprop-2-ynoxy)-1,3-benzothiazole
Also Known As: 2-((3-Iodo-2-propynyl)oxy)benzothiazole, Benzothiazole, 2-((3-iodo-2-propynyl)oxy)-, 2-(3-iodoprop-2-ynoxy)-1,3-benzothiazole, Benzothiazole,2-((3-iodo-2-propynyl)oxy), Benzothiazole, 2-[(3-iodo-2-propyn-1-yl)oxy]-
| Molecular Formula | C10H6INOS |
|---|---|
| Molecular Weight | 314.92 g/mol |
| LogP | 3.071 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.92148 |
| Heavy Atoms | 14 |
| Complexity | 464.2816 |
Chemical Identifiers
| CAS Number | 66558-72-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)OCC#CI |
Product Overview
2-((3-Iodo-2-propynyl)oxy)benzothiazole (CAS 66558-72-3), with molecular formula C10H6INOS and molecular weight 314.92 g/mol. IUPAC: 2-(3-iodoprop-2-ynoxy)-1,3-benzothiazole.
Chemical Property Profile of 2-((3-Iodo-2-propynyl)oxy)benzothiazole
Property Insights of 2-((3-Iodo-2-propynyl)oxy)benzothiazole
The XLogP value of 3.071 indicates that 2-((3-Iodo-2-propynyl)oxy)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 2-((3-Iodo-2-propynyl)oxy)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Iodo-2-propynyl)oxy)benzothiazole has 0 hydrogen bond donor(s) and 3 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 2-((3-Iodo-2-propynyl)oxy)benzothiazole?
The CAS number of 2-((3-Iodo-2-propynyl)oxy)benzothiazole is 66558-72-3.
What is the molecular formula of 2-((3-Iodo-2-propynyl)oxy)benzothiazole?
The molecular formula of 2-((3-Iodo-2-propynyl)oxy)benzothiazole is C10H6INOS.
What is the molecular weight of 2-((3-Iodo-2-propynyl)oxy)benzothiazole?
The molecular weight of 2-((3-Iodo-2-propynyl)oxy)benzothiazole is 314.92 g/mol.
Where can I buy 2-((3-Iodo-2-propynyl)oxy)benzothiazole?
You can request a quote for 2-((3-Iodo-2-propynyl)oxy)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Iodo-2-propynyl)oxy)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Iodo-2-propynyl)oxy)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.