2-Isobutylthiazole
TL;DR: 2-Isobutylthiazole (CAS 18640-74-9) is a chemical compound with molecular formula C7H11NS and molecular weight 141.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)-1,3-thiazole
Also Known As: 2-ISOBUTYLTHIAZOLE, Thiazole, 2-isobutyl-, 2-Isobutyl-1,3-thiazole, 2-(2-methylpropyl)-1,3-thiazole, isobutylthiazole
| Molecular Formula | C7H11NS |
|---|---|
| Molecular Weight | 141.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.06122 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
| Density | 0.993-0.997 |
| Solubility | Slightly soluble water; Soluble in fats |
| Refractive Index | 1.490-1.499 |
Chemical Identifiers
| CAS Number | 18640-74-9 |
|---|---|
| SMILES | CC(C)CC1=NC=CS1 |
| InChIKey | CMPVUVUNJQERIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isobutylthiazole (CAS 18640-74-9), with molecular formula C7H11NS and molecular weight 141.06 g/mol. IUPAC: 2-(2-methylpropyl)-1,3-thiazole.
Chemical Property Profile of 2-Isobutylthiazole
Property Insights of 2-Isobutylthiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobutylthiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Isobutylthiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutylthiazole 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-Isobutylthiazole?
The CAS number of 2-Isobutylthiazole is 18640-74-9.
What is the molecular formula of 2-Isobutylthiazole?
The molecular formula of 2-Isobutylthiazole is C7H11NS.
What is the molecular weight of 2-Isobutylthiazole?
The molecular weight of 2-Isobutylthiazole is 141.06 g/mol.
Where can I buy 2-Isobutylthiazole?
You can request a quote for 2-Isobutylthiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutylthiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutylthiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.