3-Acetylbenzothiophene
TL;DR: 3-Acetylbenzothiophene (CAS 1128-05-8) is a chemical compound with molecular formula C10H8OS and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-3-yl)ethanone
Also Known As: 3-Acetylthianaphthene, 3-Acetylbenzothiophene, 3-Acetylbenzo[b]thiophene, 3-Acetylthionaphthene, 1-(1-Benzothiophen-3-Yl)Ethan-1-One
| Molecular Formula | C10H8OS |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02959 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 1128-05-8 |
|---|---|
| SMILES | CC(=O)C1=CSC2=CC=CC=C21 |
| InChIKey | ZTTZKDDWXHQKSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetylbenzothiophene (CAS 1128-05-8), with molecular formula C10H8OS and molecular weight 176.03 g/mol. IUPAC: 1-(1-benzothiophen-3-yl)ethanone.
Chemical Property Profile of 3-Acetylbenzothiophene
Property Insights of 3-Acetylbenzothiophene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylbenzothiophene. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Acetylbenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylbenzothiophene 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-Acetylbenzothiophene?
The CAS number of 3-Acetylbenzothiophene is 1128-05-8.
What is the molecular formula of 3-Acetylbenzothiophene?
The molecular formula of 3-Acetylbenzothiophene is C10H8OS.
What is the molecular weight of 3-Acetylbenzothiophene?
The molecular weight of 3-Acetylbenzothiophene is 176.03 g/mol.
Where can I buy 3-Acetylbenzothiophene?
You can request a quote for 3-Acetylbenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylbenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylbenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.