1-(4-Bromo-2-thienyl)ethan-1-one
TL;DR: 1-(4-Bromo-2-thienyl)ethan-1-one (CAS 10531-41-6) is a chemical compound with molecular formula C6H5BrOS and molecular weight 203.92445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromothiophen-2-yl)ethanone
Also Known As: 2-acetyl-4-bromothiophene, 1-(4-bromothiophen-2-yl)ethanone, 1-(4-Bromo-2-Thienyl)Ethan-1-One, 1-(4-Bromo-2-thienyl)-1-ethanone, 1-(4-Bromothiophen-2-yl)ethan-1-one
Technical Specifications
| Molecular Formula | C6H5BrOS |
| Molecular Weight | 203.92445 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.92445 Da |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| SMILES | CC(=O)C1=CC(=CS1)Br |
| InChIKey | HXVLWNKFMNRJED-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Bromo-2-thienyl)ethan-1-one
Property Insights of 1-(4-Bromo-2-thienyl)ethan-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromo-2-thienyl)ethan-1-one. With a topological polar surface area (TPSA) of 45.3 Ų, 1-(4-Bromo-2-thienyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-2-thienyl)ethan-1-one 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
What is the CAS number of 1-(4-Bromo-2-thienyl)ethan-1-one?
The CAS number of 1-(4-Bromo-2-thienyl)ethan-1-one is 10531-41-6.
What is the molecular formula of 1-(4-Bromo-2-thienyl)ethan-1-one?
The molecular formula of 1-(4-Bromo-2-thienyl)ethan-1-one is C6H5BrOS.
What is the molecular weight of 1-(4-Bromo-2-thienyl)ethan-1-one?
The molecular weight of 1-(4-Bromo-2-thienyl)ethan-1-one is 203.92445 g/mol.
Where can I buy 1-(4-Bromo-2-thienyl)ethan-1-one?
You can request a quote for 1-(4-Bromo-2-thienyl)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Bromo-2-thienyl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Bromo-2-thienyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.