2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole
TL;DR: 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole (CAS 329202-28-0) is a chemical compound with molecular formula C9H11NS and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethylbut-1-ynyl)-1,3-thiazole
Also Known As: 2-(3,3-Dimethyl-1-butynyl)thiazole, 2-(3,3-dimethyl-1-butynyl)-1,3-thiazole, 2-(3,3-dimethylbut-1-yn-1-yl)-1,3-thiazole, 2-(3,3-dimethylbut-1-ynyl)-1,3-thiazole, J1.527.249J
| Molecular Formula | C9H11NS |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 2.5407 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.06122 |
| Heavy Atoms | 11 |
| Complexity | 268.74677 |
Chemical Identifiers
| CAS Number | 329202-28-0 |
|---|---|
| SMILES | CC(C)(C)C#CC1=NC=CS1 |
Product Overview
2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole (CAS 329202-28-0), with molecular formula C9H11NS and molecular weight 165.06 g/mol. IUPAC: 2-(3,3-dimethylbut-1-ynyl)-1,3-thiazole.
Chemical Property Profile of 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole
Property Insights of 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole
The XLogP value of 2.5407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole. With a topological polar surface area (TPSA) of 12.89 Ų, 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole has 0 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-(3,3-Dimethyl-1-butynyl)-1,3-thiazole?
The CAS number of 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole is 329202-28-0.
What is the molecular formula of 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole?
The molecular formula of 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole is C9H11NS.
What is the molecular weight of 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole?
The molecular weight of 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole is 165.06 g/mol.
Where can I buy 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole?
You can request a quote for 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,3-Dimethyl-1-butynyl)-1,3-thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.