2-Butanoylthiophene
TL;DR: 2-Butanoylthiophene (CAS 5333-83-5) is a chemical compound with molecular formula C8H10OS and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylbutan-1-one
Also Known As: 2-Butanoylthiophene, 2-Butyrylthiophene, 2-n-Butyrylthiophene, 1-(thiophen-2-yl)butan-1-one, 1-(2-Thienyl)-1-butanone
| Molecular Formula | C8H10OS |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.04524 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
| Boiling Point | 242.00 to 244.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 5333-83-5 |
|---|---|
| SMILES | CCCC(=O)C1=CC=CS1 |
| InChIKey | YXHIINNJOGKPLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanoylthiophene (CAS 5333-83-5), with molecular formula C8H10OS and molecular weight 154.05 g/mol. IUPAC: 1-thiophen-2-ylbutan-1-one.
Chemical Property Profile of 2-Butanoylthiophene
Property Insights of 2-Butanoylthiophene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanoylthiophene. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Butanoylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanoylthiophene 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-Butanoylthiophene?
The CAS number of 2-Butanoylthiophene is 5333-83-5.
What is the molecular formula of 2-Butanoylthiophene?
The molecular formula of 2-Butanoylthiophene is C8H10OS.
What is the molecular weight of 2-Butanoylthiophene?
The molecular weight of 2-Butanoylthiophene is 154.05 g/mol.
Where can I buy 2-Butanoylthiophene?
You can request a quote for 2-Butanoylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanoylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanoylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.