2-Acetyl-5-iodothiophene
TL;DR: 2-Acetyl-5-iodothiophene (CAS 30955-94-3) is a chemical compound with molecular formula C6H5IOS and molecular weight 251.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-iodothiophen-2-yl)ethanone
Also Known As: 2-Acetyl-5-iodothiophene, 1-(5-iodothiophen-2-yl)ethanone, 5-iodo-2-acetylthiophene, Ethanone, 1-(5-iodo-2-thienyl)-, 5-acetyl-2-iodothiophene
| Molecular Formula | C6H5IOS |
|---|---|
| Molecular Weight | 251.91 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.91058 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 30955-94-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(S1)I |
| InChIKey | XBUCSKKBSJSRLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-5-iodothiophene (CAS 30955-94-3), with molecular formula C6H5IOS and molecular weight 251.91 g/mol. IUPAC: 1-(5-iodothiophen-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-5-iodothiophene
Property Insights of 2-Acetyl-5-iodothiophene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-5-iodothiophene. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Acetyl-5-iodothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-5-iodothiophene 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-Acetyl-5-iodothiophene?
The CAS number of 2-Acetyl-5-iodothiophene is 30955-94-3.
What is the molecular formula of 2-Acetyl-5-iodothiophene?
The molecular formula of 2-Acetyl-5-iodothiophene is C6H5IOS.
What is the molecular weight of 2-Acetyl-5-iodothiophene?
The molecular weight of 2-Acetyl-5-iodothiophene is 251.91 g/mol.
Where can I buy 2-Acetyl-5-iodothiophene?
You can request a quote for 2-Acetyl-5-iodothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-5-iodothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-5-iodothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.