2-Acetyl-3,4,5-trichlorothiophene
TL;DR: 2-Acetyl-3,4,5-trichlorothiophene (CAS 95418-92-1) is a chemical compound with molecular formula C6H3Cl3OS and molecular weight 227.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trichlorothiophen-2-yl)ethanone
Also Known As: 1-(3,4,5-Trichlorothiophen-2-yl)ethan-1-one, 2-acetyltrichlorothiophen, 2-Acetyl-3,4,5-trichlorothiophene, 1-(3,4,5-Trichlorothiophen-2-yl)ethanone, 1-(3,4,5-trichloro-2-thienyl)ethanone
| Molecular Formula | C6H3Cl3OS |
|---|---|
| Molecular Weight | 227.90 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.89702 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 95418-92-1 |
|---|---|
| SMILES | CC(=O)C1=C(C(=C(S1)Cl)Cl)Cl |
| InChIKey | WQUPBUNZMUOHGG-UHFFFAOYSA-N |
Product Overview
2-Acetyl-3,4,5-trichlorothiophene (CAS 95418-92-1), with molecular formula C6H3Cl3OS and molecular weight 227.90 g/mol. IUPAC: 1-(3,4,5-trichlorothiophen-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-3,4,5-trichlorothiophene
Property Insights of 2-Acetyl-3,4,5-trichlorothiophene
The XLogP value of 3.8 indicates that 2-Acetyl-3,4,5-trichlorothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Acetyl-3,4,5-trichlorothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3,4,5-trichlorothiophene 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-3,4,5-trichlorothiophene?
The CAS number of 2-Acetyl-3,4,5-trichlorothiophene is 95418-92-1.
What is the molecular formula of 2-Acetyl-3,4,5-trichlorothiophene?
The molecular formula of 2-Acetyl-3,4,5-trichlorothiophene is C6H3Cl3OS.
What is the molecular weight of 2-Acetyl-3,4,5-trichlorothiophene?
The molecular weight of 2-Acetyl-3,4,5-trichlorothiophene is 227.90 g/mol.
Where can I buy 2-Acetyl-3,4,5-trichlorothiophene?
You can request a quote for 2-Acetyl-3,4,5-trichlorothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3,4,5-trichlorothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3,4,5-trichlorothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.