3-Methyl-2-acetylthiophene
TL;DR: 3-Methyl-2-acetylthiophene (CAS 13679-72-6) 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-(3-methylthiophen-2-yl)ethanone
Also Known As: 2-Acetyl-3-methylthiophene, 1-(3-methylthiophen-2-yl)ethanone, 3-methyl-2-acetylthiophene, 1-(3-Methyl-2-thienyl)ethanone, Ethanone, 1-(3-methyl-2-thienyl)-
| 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 |
| Boiling Point | 216.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 13679-72-6 |
|---|---|
| SMILES | CC1=C(SC=C1)C(=O)C |
| InChIKey | YBJDKNXEWQSGEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-acetylthiophene (CAS 13679-72-6), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: 1-(3-methylthiophen-2-yl)ethanone.
Chemical Property Profile of 3-Methyl-2-acetylthiophene
Property Insights of 3-Methyl-2-acetylthiophene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-acetylthiophene. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Methyl-2-acetylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-acetylthiophene 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 3-Methyl-2-acetylthiophene?
The CAS number of 3-Methyl-2-acetylthiophene is 13679-72-6.
What is the molecular formula of 3-Methyl-2-acetylthiophene?
The molecular formula of 3-Methyl-2-acetylthiophene is C7H8OS.
What is the molecular weight of 3-Methyl-2-acetylthiophene?
The molecular weight of 3-Methyl-2-acetylthiophene is 140.03 g/mol.
Where can I buy 3-Methyl-2-acetylthiophene?
You can request a quote for 3-Methyl-2-acetylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-acetylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-acetylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.