![2-Acetyl-3-methylbenzo[b]thiophene structure](/static/products/1878/18781-31-2.webp)
2-Acetyl-3-methylbenzo[b]thiophene
TL;DR: 2-Acetyl-3-methylbenzo[b]thiophene (CAS 18781-31-2) is a chemical compound with molecular formula C11H10OS and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-1-benzothiophen-2-yl)ethanone
Also Known As: 2-Acetyl-3-methylbenzo[b]thiophene, 1-(3-methyl-1-benzothiophen-2-yl)ethanone, Maybridge1_005410, 2-acetyl-3-methylbenzothiophene, 1-(3-methylbenzo[b]thiophen-2-yl)ethanone
| Molecular Formula | C11H10OS |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.04524 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 18781-31-2 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C12)C(=O)C |
| InChIKey | HBTQKSGOEOVCBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-3-methylbenzo[b]thiophene (CAS 18781-31-2), with molecular formula C11H10OS and molecular weight 190.05 g/mol. IUPAC: 1-(3-methyl-1-benzothiophen-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-3-methylbenzo[b]thiophene
Property Insights of 2-Acetyl-3-methylbenzo[b]thiophene
The XLogP value of 3.3 indicates that 2-Acetyl-3-methylbenzo[b]thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Acetyl-3-methylbenzo[b]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-methylbenzo[b]thiophene 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-3-methylbenzo[b]thiophene?
The CAS number of 2-Acetyl-3-methylbenzo[b]thiophene is 18781-31-2.
What is the molecular formula of 2-Acetyl-3-methylbenzo[b]thiophene?
The molecular formula of 2-Acetyl-3-methylbenzo[b]thiophene is C11H10OS.
What is the molecular weight of 2-Acetyl-3-methylbenzo[b]thiophene?
The molecular weight of 2-Acetyl-3-methylbenzo[b]thiophene is 190.05 g/mol.
Where can I buy 2-Acetyl-3-methylbenzo[b]thiophene?
You can request a quote for 2-Acetyl-3-methylbenzo[b]thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-methylbenzo[b]thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-methylbenzo[b]thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.