Thenoylacetone
TL;DR: Thenoylacetone (CAS 3051-27-2) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylbutane-1,3-dione
Also Known As: Thenoylacetone, 2-Thenoylacetone, 1-(thiophen-2-yl)butane-1,3-dione, 1,3-Butanedione, 1-(2-thienyl)-, 1-(2-Thienyl)-1,3-butanedione
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 3051-27-2 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=CS1 |
| InChIKey | BSXCLFYNJYBVPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thenoylacetone (CAS 3051-27-2), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 1-thiophen-2-ylbutane-1,3-dione.
Chemical Property Profile of Thenoylacetone
Property Insights of Thenoylacetone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thenoylacetone. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thenoylacetone. Following Lipinski's Rule of Five, Thenoylacetone 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
Frequently Asked Questions
What is the CAS number of Thenoylacetone?
The CAS number of Thenoylacetone is 3051-27-2.
What is the molecular formula of Thenoylacetone?
The molecular formula of Thenoylacetone is C8H8O2S.
What is the molecular weight of Thenoylacetone?
The molecular weight of Thenoylacetone is 168.02 g/mol.
Where can I buy Thenoylacetone?
You can request a quote for Thenoylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thenoylacetone?
Yes, KEHONG BIO provides custom synthesis services for Thenoylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.