![2-Hexylisothiazolo[5,4-b]pyridine-3-thione structure](/static/products/154/154344-31-7.webp)
2-Hexylisothiazolo[5,4-b]pyridine-3-thione
TL;DR: 2-Hexylisothiazolo[5,4-b]pyridine-3-thione (CAS 154344-31-7) is a chemical compound with molecular formula C12H16N2S2 and molecular weight 252.07549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexyl-[1,2]thiazolo[5,4-b]pyridine-3-thione
Also Known As: 2-hexylisothiazolo[5,4-b]pyridine-3-thione, J1.273.113B, Isothiazolo[5,4-b]pyridine-3(2H)-thione, 2-hexyl-, 2-hexyl-[1,2]thiazolo[5,4-b]pyridine-3-thione, 2-Hexylisothiazolo[5,4-b]pyridine-3(2H)-thione
Technical Specifications
| Molecular Formula | C12H16N2S2 |
| Molecular Weight | 252.07549 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07549 Da |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
| SMILES | CCCCCCN1C(=S)C2=C(S1)N=CC=C2 |
| InChIKey | XAUILYVZTBXYRE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexylisothiazolo[5,4-b]pyridine-3-thione
Property Insights of 2-Hexylisothiazolo[5,4-b]pyridine-3-thione
The XLogP value of 3.7 indicates that 2-Hexylisothiazolo[5,4-b]pyridine-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexylisothiazolo[5,4-b]pyridine-3-thione. Following Lipinski's Rule of Five, 2-Hexylisothiazolo[5,4-b]pyridine-3-thione 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
What is the CAS number of 2-Hexylisothiazolo[5,4-b]pyridine-3-thione?
The CAS number of 2-Hexylisothiazolo[5,4-b]pyridine-3-thione is 154344-31-7.
What is the molecular formula of 2-Hexylisothiazolo[5,4-b]pyridine-3-thione?
The molecular formula of 2-Hexylisothiazolo[5,4-b]pyridine-3-thione is C12H16N2S2.
What is the molecular weight of 2-Hexylisothiazolo[5,4-b]pyridine-3-thione?
The molecular weight of 2-Hexylisothiazolo[5,4-b]pyridine-3-thione is 252.07549 g/mol.
Where can I buy 2-Hexylisothiazolo[5,4-b]pyridine-3-thione?
You can request a quote for 2-Hexylisothiazolo[5,4-b]pyridine-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexylisothiazolo[5,4-b]pyridine-3-thione?
Yes, CoreyChem provides custom synthesis services for 2-Hexylisothiazolo[5,4-b]pyridine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.