1-(2-Thienyl)acetone
TL;DR: 1-(2-Thienyl)acetone (CAS 15077-57-3) is a chemical compound with molecular formula C7H8OS and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylpropan-2-one
Also Known As: 1-(2-thienyl)acetone, 1-(thiophen-2-yl)propan-2-one, 1-thiophen-2-ylpropan-2-one, 2-Propanone, 1-(2-thienyl)-, 2-acetonylthiophene
| Molecular Formula | C7H8OS |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.02959 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 15077-57-3 |
|---|---|
| SMILES | CC(=O)CC1=CC=CS1 |
| InChIKey | FOWXQMONAFWJAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Thienyl)acetone (CAS 15077-57-3), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: 1-thiophen-2-ylpropan-2-one.
Chemical Property Profile of 1-(2-Thienyl)acetone
Property Insights of 1-(2-Thienyl)acetone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Thienyl)acetone. With a topological polar surface area (TPSA) of 45.3 Ų, 1-(2-Thienyl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Thienyl)acetone 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 1-(2-Thienyl)acetone?
The CAS number of 1-(2-Thienyl)acetone is 15077-57-3.
What is the molecular formula of 1-(2-Thienyl)acetone?
The molecular formula of 1-(2-Thienyl)acetone is C7H8OS.
What is the molecular weight of 1-(2-Thienyl)acetone?
The molecular weight of 1-(2-Thienyl)acetone is 140.03 g/mol.
Where can I buy 1-(2-Thienyl)acetone?
You can request a quote for 1-(2-Thienyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Thienyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Thienyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.