3-tert-Butoxythiophene
TL;DR: 3-tert-Butoxythiophene (CAS 49596-64-7) is a chemical compound with molecular formula C8H12OS and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxy]thiophene
Also Known As: 3-tert-Butoxythiophene, 3-t-butoxythiophene, 3-tert-Butoxythiophen, Thiophene, 3-(1,1-dimethylethoxy)-, tert-Butyl 3-thienyl ether #
| Molecular Formula | C8H12OS |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.06088 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 49596-64-7 |
|---|---|
| SMILES | CC(C)(C)OC1=CSC=C1 |
| InChIKey | AHEZAMUVPRLNSQ-UHFFFAOYSA-N |
Product Overview
3-tert-Butoxythiophene (CAS 49596-64-7), with molecular formula C8H12OS and molecular weight 156.06 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxy]thiophene.
Chemical Property Profile of 3-tert-Butoxythiophene
Property Insights of 3-tert-Butoxythiophene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butoxythiophene. With a topological polar surface area (TPSA) of 37.5 Ų, 3-tert-Butoxythiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butoxythiophene 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 3-tert-Butoxythiophene?
The CAS number of 3-tert-Butoxythiophene is 49596-64-7.
What is the molecular formula of 3-tert-Butoxythiophene?
The molecular formula of 3-tert-Butoxythiophene is C8H12OS.
What is the molecular weight of 3-tert-Butoxythiophene?
The molecular weight of 3-tert-Butoxythiophene is 156.06 g/mol.
Where can I buy 3-tert-Butoxythiophene?
You can request a quote for 3-tert-Butoxythiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butoxythiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butoxythiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.