Isopropyl thiophene-3-acetate
TL;DR: Isopropyl thiophene-3-acetate (CAS 53064-74-7) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-thiophen-3-ylacetate
Also Known As: Isopropyl thiophene-3-acetate, isopropyl 3-thienylacetate, isopropylthiophene-3-acetate, 1-Methylethyl 3-thiopheneacetate, propan-2-yl 2-thiophen-3-ylacetate
Technical Specifications
| Molecular Formula | C9H12O2S |
| Molecular Weight | 184.0558 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.0558 Da |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
| SMILES | CC(C)OC(=O)CC1=CSC=C1 |
| InChIKey | UHMOHYVZZQBQIB-UHFFFAOYSA-N |
Chemical Property Profile of Isopropyl thiophene-3-acetate
Property Insights of Isopropyl thiophene-3-acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl thiophene-3-acetate. With a topological polar surface area (TPSA) of 54.5 Ų, Isopropyl thiophene-3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl thiophene-3-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
What is the CAS number of Isopropyl thiophene-3-acetate?
The CAS number of Isopropyl thiophene-3-acetate is 53064-74-7.
What is the molecular formula of Isopropyl thiophene-3-acetate?
The molecular formula of Isopropyl thiophene-3-acetate is C9H12O2S.
What is the molecular weight of Isopropyl thiophene-3-acetate?
The molecular weight of Isopropyl thiophene-3-acetate is 184.0558 g/mol.
Where can I buy Isopropyl thiophene-3-acetate?
You can request a quote for Isopropyl thiophene-3-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl thiophene-3-acetate?
Yes, CoreyChem provides custom synthesis services for Isopropyl thiophene-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.