1-(5-Tert-butylthiophen-2-yl)ethanone
TL;DR: 1-(5-Tert-butylthiophen-2-yl)ethanone (CAS 35171-06-3) is a chemical compound with molecular formula C10H14OS and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-tert-butylthiophen-2-yl)ethanone
Also Known As: 1-(5-tert-butylthiophen-2-yl)ethanone, 1-(5-tert-butyl-2-thienyl)ethanone, 1-(5-tert-butylthiophen-2-yl)ethan-1-one, 2-t-butyl-5 -acetylthiophene, Ethanone, 1-[5-(1,1-dimethylethyl)-2-thienyl]-
| Molecular Formula | C10H14OS |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.07654 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 35171-06-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(S1)C(C)(C)C |
| InChIKey | AHABAANUAYYPCC-UHFFFAOYSA-N |
Product Overview
1-(5-Tert-butylthiophen-2-yl)ethanone (CAS 35171-06-3), with molecular formula C10H14OS and molecular weight 182.08 g/mol. IUPAC: 1-(5-tert-butylthiophen-2-yl)ethanone.
Chemical Property Profile of 1-(5-Tert-butylthiophen-2-yl)ethanone
Property Insights of 1-(5-Tert-butylthiophen-2-yl)ethanone
The XLogP value of 3.3 indicates that 1-(5-Tert-butylthiophen-2-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 1-(5-Tert-butylthiophen-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Tert-butylthiophen-2-yl)ethanone 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-(5-Tert-butylthiophen-2-yl)ethanone?
The CAS number of 1-(5-Tert-butylthiophen-2-yl)ethanone is 35171-06-3.
What is the molecular formula of 1-(5-Tert-butylthiophen-2-yl)ethanone?
The molecular formula of 1-(5-Tert-butylthiophen-2-yl)ethanone is C10H14OS.
What is the molecular weight of 1-(5-Tert-butylthiophen-2-yl)ethanone?
The molecular weight of 1-(5-Tert-butylthiophen-2-yl)ethanone is 182.08 g/mol.
Where can I buy 1-(5-Tert-butylthiophen-2-yl)ethanone?
You can request a quote for 1-(5-Tert-butylthiophen-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Tert-butylthiophen-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Tert-butylthiophen-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.