2-Acetyl-3-chlorothiophene
TL;DR: 2-Acetyl-3-chlorothiophene (CAS 89581-82-8) is a chemical compound with molecular formula C6H5ClOS and molecular weight 159.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorothiophen-2-yl)ethanone
Also Known As: 2-Acetyl-3-chlorothiophene, Chlorfluazuron, 1-(3-chlorothiophen-2-yl)ethanone, chlorothienylethanone, 1-(3-chloro-2-thienyl)-1-ethanone
| Molecular Formula | C6H5ClOS |
|---|---|
| Molecular Weight | 159.97 g/mol |
| LogP | 2.6041 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.97496 |
| Heavy Atoms | 9 |
| Complexity | 228.71666 |
Chemical Identifiers
| CAS Number | 89581-82-8 |
|---|---|
| SMILES | CC(=O)C1=C(C=CS1)Cl |
Product Overview
2-Acetyl-3-chlorothiophene (CAS 89581-82-8), with molecular formula C6H5ClOS and molecular weight 159.97 g/mol. IUPAC: 1-(3-chlorothiophen-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-3-chlorothiophene
Property Insights of 2-Acetyl-3-chlorothiophene
The XLogP value of 2.6041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-chlorothiophene. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Acetyl-3-chlorothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-chlorothiophene 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-chlorothiophene?
The CAS number of 2-Acetyl-3-chlorothiophene is 89581-82-8.
What is the molecular formula of 2-Acetyl-3-chlorothiophene?
The molecular formula of 2-Acetyl-3-chlorothiophene is C6H5ClOS.
What is the molecular weight of 2-Acetyl-3-chlorothiophene?
The molecular weight of 2-Acetyl-3-chlorothiophene is 159.97 g/mol.
Where can I buy 2-Acetyl-3-chlorothiophene?
You can request a quote for 2-Acetyl-3-chlorothiophene 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-chlorothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-chlorothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.