2-Acetyl-5-methylthiophene
TL;DR: 2-Acetyl-5-methylthiophene (CAS 13679-74-8) is a chemical compound with molecular formula C7H8OS and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methylthiophen-2-yl)ethanone
Also Known As: 2-Acetyl-5-methylthiophene, Methylthienylcetone, 1-(5-methylthiophen-2-yl)ethanone, Ethanone, 1-(5-methyl-2-thienyl)-, 5-methyl-2-acetylthiophene
| Molecular Formula | C7H8OS |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.02959 |
| Heavy Atoms | 9 |
| Complexity | 122.0 |
| Melting Point | 25 °C |
| Boiling Point | 232.00 to 234.00 °C. @ 760.00 mm Hg |
| Density | 1.120-1.130 (20°) |
| Solubility | Very slightly soluble in water |
| Refractive Index | 1.557-1.567 |
Chemical Identifiers
| CAS Number | 13679-74-8 |
|---|---|
| SMILES | CC1=CC=C(S1)C(=O)C |
| InChIKey | YOSDTJYMDAEEAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-5-methylthiophene (CAS 13679-74-8), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: 1-(5-methylthiophen-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-5-methylthiophene
Property Insights of 2-Acetyl-5-methylthiophene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-5-methylthiophene. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Acetyl-5-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-5-methylthiophene 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-Acetyl-5-methylthiophene?
The CAS number of 2-Acetyl-5-methylthiophene is 13679-74-8.
What is the molecular formula of 2-Acetyl-5-methylthiophene?
The molecular formula of 2-Acetyl-5-methylthiophene is C7H8OS.
What is the molecular weight of 2-Acetyl-5-methylthiophene?
The molecular weight of 2-Acetyl-5-methylthiophene is 140.03 g/mol.
Where can I buy 2-Acetyl-5-methylthiophene?
You can request a quote for 2-Acetyl-5-methylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-5-methylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-5-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.