1-(Thiophen-3-yl)ethanone
TL;DR: 1-(Thiophen-3-yl)ethanone (CAS 1468-83-3) is a chemical compound with molecular formula C6H6OS and molecular weight 126.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-3-ylethanone
Also Known As: 3-ACETYLTHIOPHENE, Methyl 3-thienyl ketone, Ethanone, 1-(3-thienyl)-, 1-(thiophen-3-yl)ethan-1-one, 1-thiophen-3-ylethanone
| Molecular Formula | C6H6OS |
|---|---|
| Molecular Weight | 126.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.01394 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
| Melting Point | 61 - 62 °C |
| Boiling Point | 210.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 1468-83-3 |
|---|---|
| SMILES | CC(=O)C1=CSC=C1 |
| InChIKey | RNIDWJDZNNVFDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Thiophen-3-yl)ethanone (CAS 1468-83-3), with molecular formula C6H6OS and molecular weight 126.01 g/mol. IUPAC: 1-thiophen-3-ylethanone.
Chemical Property Profile of 1-(Thiophen-3-yl)ethanone
Property Insights of 1-(Thiophen-3-yl)ethanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Thiophen-3-yl)ethanone. With a topological polar surface area (TPSA) of 45.3 Ų, 1-(Thiophen-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Thiophen-3-yl)ethanone 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 1-(Thiophen-3-yl)ethanone?
The CAS number of 1-(Thiophen-3-yl)ethanone is 1468-83-3.
What is the molecular formula of 1-(Thiophen-3-yl)ethanone?
The molecular formula of 1-(Thiophen-3-yl)ethanone is C6H6OS.
What is the molecular weight of 1-(Thiophen-3-yl)ethanone?
The molecular weight of 1-(Thiophen-3-yl)ethanone is 126.01 g/mol.
Where can I buy 1-(Thiophen-3-yl)ethanone?
You can request a quote for 1-(Thiophen-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Thiophen-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Thiophen-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.