2-Thiopheneacetic acid, 1-methylethyl ester
TL;DR: 2-Thiopheneacetic acid, 1-methylethyl ester (CAS 68100-13-0) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-thiophen-2-ylacetate
Also Known As: Isopropyl 2-thienylacetate, Isopropyl 2-thienylacetate #, propan-2-yl 2-thiophen-2-ylacetate, 2-Thiopheneacetic acid, 1-methylethyl ester, Propan-2-yl (thiophen-2-yl)acetate
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 68100-13-0 |
|---|---|
| SMILES | CC(C)OC(=O)CC1=CC=CS1 |
| InChIKey | CBWSJWWRACSFBY-UHFFFAOYSA-N |
Product Overview
2-Thiopheneacetic acid, 1-methylethyl ester (CAS 68100-13-0), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: propan-2-yl 2-thiophen-2-ylacetate.
Chemical Property Profile of 2-Thiopheneacetic acid, 1-methylethyl ester
Property Insights of 2-Thiopheneacetic acid, 1-methylethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiopheneacetic acid, 1-methylethyl ester. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Thiopheneacetic acid, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiopheneacetic acid, 1-methylethyl ester 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 2-Thiopheneacetic acid, 1-methylethyl ester?
The CAS number of 2-Thiopheneacetic acid, 1-methylethyl ester is 68100-13-0.
What is the molecular formula of 2-Thiopheneacetic acid, 1-methylethyl ester?
The molecular formula of 2-Thiopheneacetic acid, 1-methylethyl ester is C9H12O2S.
What is the molecular weight of 2-Thiopheneacetic acid, 1-methylethyl ester?
The molecular weight of 2-Thiopheneacetic acid, 1-methylethyl ester is 184.06 g/mol.
Where can I buy 2-Thiopheneacetic acid, 1-methylethyl ester?
You can request a quote for 2-Thiopheneacetic acid, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiopheneacetic acid, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiopheneacetic acid, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.