![2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide structure](/static/products/4737/473707-81-2.webp)
2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide
TL;DR: 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide (CAS 473707-81-2) is a chemical compound with molecular formula C12H16INOS and molecular weight 349.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butan-2-ol iodide
Also Known As: 2-(3-hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide, 4-(3-methylbenzothiazol-2-yl)butan-2-ol Iodide, 2-(3-HYDROXYBUTYL)-3-METHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE, F0848-0178, 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butan-2-ol iodide
| Molecular Formula | C12H16INOS |
|---|---|
| Molecular Weight | 349.00 g/mol |
| LogP | -0.9568 |
| Topological Polar Surface Area | 24.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.99973 |
| Heavy Atoms | 16 |
| Complexity | 466.98676 |
Chemical Identifiers
| CAS Number | 473707-81-2 |
|---|---|
| SMILES | CC(CCC1=[N+](C2=CC=CC=C2S1)C)O.[I-] |
Product Overview
2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide (CAS 473707-81-2), with molecular formula C12H16INOS and molecular weight 349.00 g/mol. IUPAC: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butan-2-ol iodide.
Chemical Property Profile of 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide
Property Insights of 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide
The XLogP value of -0.9568 indicates that 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.11 Ų, 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide has 1 hydrogen bond donor(s) and 2 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-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide?
The CAS number of 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide is 473707-81-2.
What is the molecular formula of 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide?
The molecular formula of 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide is C12H16INOS.
What is the molecular weight of 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide?
The molecular weight of 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide is 349.00 g/mol.
Where can I buy 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide?
You can request a quote for 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Hydroxybutyl)-3-methylbenzo[d]thiazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.