5-Acetyl-2,3-dimethylthiophene
TL;DR: 5-Acetyl-2,3-dimethylthiophene (CAS 66587-69-7) is a chemical compound with molecular formula C8H10OS and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethylthiophen-2-yl)ethanone
Also Known As: 5-Acetyl-2,3-dimethylthiophene, 1-(4,5-dimethylthiophen-2-yl)ethanone, 2-acetyl-4,5-dimethylthiophene, Ethanone, 1-(4,5-dimethyl-2-thienyl)-, Ethanone,5-dimethyl-2-thienyl)-
| Molecular Formula | C8H10OS |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.04524 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 66587-69-7 |
|---|---|
| SMILES | CC1=C(SC(=C1)C(=O)C)C |
| InChIKey | OANYJDXGTCXYAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Acetyl-2,3-dimethylthiophene (CAS 66587-69-7), with molecular formula C8H10OS and molecular weight 154.05 g/mol. IUPAC: 1-(4,5-dimethylthiophen-2-yl)ethanone.
Chemical Property Profile of 5-Acetyl-2,3-dimethylthiophene
Property Insights of 5-Acetyl-2,3-dimethylthiophene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2,3-dimethylthiophene. With a topological polar surface area (TPSA) of 45.3 Ų, 5-Acetyl-2,3-dimethylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2,3-dimethylthiophene 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 5-Acetyl-2,3-dimethylthiophene?
The CAS number of 5-Acetyl-2,3-dimethylthiophene is 66587-69-7.
What is the molecular formula of 5-Acetyl-2,3-dimethylthiophene?
The molecular formula of 5-Acetyl-2,3-dimethylthiophene is C8H10OS.
What is the molecular weight of 5-Acetyl-2,3-dimethylthiophene?
The molecular weight of 5-Acetyl-2,3-dimethylthiophene is 154.05 g/mol.
Where can I buy 5-Acetyl-2,3-dimethylthiophene?
You can request a quote for 5-Acetyl-2,3-dimethylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2,3-dimethylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2,3-dimethylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.