Thienylethanol acetate
TL;DR: Thienylethanol acetate (CAS 84194-85-4) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylethyl acetate
Also Known As: thienylethanol acetate, 2-Thienylethyl acetate, 1-thiophen-2-ylethyl acetate, (-)-a-(2-Thienyl)ethyl acetate
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 2.3722 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 228.24991 |
Chemical Identifiers
| CAS Number | 84194-85-4 |
|---|---|
| SMILES | CC(C1=CC=CS1)OC(=O)C |
Product Overview
Thienylethanol acetate (CAS 84194-85-4), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: 1-thiophen-2-ylethyl acetate.
Chemical Property Profile of Thienylethanol acetate
Property Insights of Thienylethanol acetate
The XLogP value of 2.3722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thienylethanol acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Thienylethanol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thienylethanol acetate has 0 hydrogen bond donor(s) and 3 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 Thienylethanol acetate?
The CAS number of Thienylethanol acetate is 84194-85-4.
What is the molecular formula of Thienylethanol acetate?
The molecular formula of Thienylethanol acetate is C8H10O2S.
What is the molecular weight of Thienylethanol acetate?
The molecular weight of Thienylethanol acetate is 170.04 g/mol.
Where can I buy Thienylethanol acetate?
You can request a quote for Thienylethanol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thienylethanol acetate?
Yes, KEHONG BIO provides custom synthesis services for Thienylethanol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.