3-Acetyl-5-methylbenzo(b)thiophene
TL;DR: 3-Acetyl-5-methylbenzo(b)thiophene (CAS 2046-76-6) 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-(5-methyl-1-benzothiophen-3-yl)ethanone
Also Known As: 3-Acetyl-5-methylbenzo(b)thiophene, 3-acetyl-5-methylbenzo[b]thiophene, 3-Acetyl-5-methyl-1-benzothiophene, Ethanone, 1-(5-methylbenzo[b]thien-3-yl)-, 1-(5-Methyl-1-benzothien-3-yl)ethanone #
| Molecular Formula | C11H10OS |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 3.1 |
| 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 | 2046-76-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC=C2C(=O)C |
| InChIKey | GUWLBGGBIKBCDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetyl-5-methylbenzo(b)thiophene (CAS 2046-76-6), with molecular formula C11H10OS and molecular weight 190.05 g/mol. IUPAC: 1-(5-methyl-1-benzothiophen-3-yl)ethanone.
Chemical Property Profile of 3-Acetyl-5-methylbenzo(b)thiophene
Property Insights of 3-Acetyl-5-methylbenzo(b)thiophene
The XLogP value of 3.1 indicates that 3-Acetyl-5-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, 3-Acetyl-5-methylbenzo(b)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-5-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 3-Acetyl-5-methylbenzo(b)thiophene?
The CAS number of 3-Acetyl-5-methylbenzo(b)thiophene is 2046-76-6.
What is the molecular formula of 3-Acetyl-5-methylbenzo(b)thiophene?
The molecular formula of 3-Acetyl-5-methylbenzo(b)thiophene is C11H10OS.
What is the molecular weight of 3-Acetyl-5-methylbenzo(b)thiophene?
The molecular weight of 3-Acetyl-5-methylbenzo(b)thiophene is 190.05 g/mol.
Where can I buy 3-Acetyl-5-methylbenzo(b)thiophene?
You can request a quote for 3-Acetyl-5-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 3-Acetyl-5-methylbenzo(b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-5-methylbenzo(b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.