1-(Thiophen-2-yl)pentane-1,3-dione
TL;DR: 1-(Thiophen-2-yl)pentane-1,3-dione (CAS 154316-77-5) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-thiophen-2-ylpentane-1,3-dione
Also Known As: 1-(thiophen-2-yl)pentane-1,3-dione, 1-thiophen-2-ylpentane-1,3-dione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2S |
| Molecular Weight | 182.04015 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.04015 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | CCC(=O)CC(=O)C1=CC=CS1 |
| InChIKey | CCIGLWJLWGCUMS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Thiophen-2-yl)pentane-1,3-dione
Property Insights of 1-(Thiophen-2-yl)pentane-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Thiophen-2-yl)pentane-1,3-dione. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Thiophen-2-yl)pentane-1,3-dione. Following Lipinski's Rule of Five, 1-(Thiophen-2-yl)pentane-1,3-dione has 0 hydrogen bond donor(s) and 3 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-(Thiophen-2-yl)pentane-1,3-dione?
The CAS number of 1-(Thiophen-2-yl)pentane-1,3-dione is 154316-77-5.
What is the molecular formula of 1-(Thiophen-2-yl)pentane-1,3-dione?
The molecular formula of 1-(Thiophen-2-yl)pentane-1,3-dione is C9H10O2S.
What is the molecular weight of 1-(Thiophen-2-yl)pentane-1,3-dione?
The molecular weight of 1-(Thiophen-2-yl)pentane-1,3-dione is 182.04015 g/mol.
Where can I buy 1-(Thiophen-2-yl)pentane-1,3-dione?
You can request a quote for 1-(Thiophen-2-yl)pentane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Thiophen-2-yl)pentane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 1-(Thiophen-2-yl)pentane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.