Methyl 3-thienylacetate
TL;DR: Methyl 3-thienylacetate (CAS 58414-52-1) is a chemical compound with molecular formula C7H8O2S and molecular weight 156.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-thiophen-3-ylacetate
Also Known As: Methyl 3-thienylacetate, METHYL THIOPHENE-3-ACETATE, METHYL 2-(THIOPHEN-3-YL)ACETATE, methyl 2-(3-thienyl)acetate, methyl 2-thiophen-3-ylacetate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O2S |
| Molecular Weight | 156.0245 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.0245 Da |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| SMILES | COC(=O)CC1=CSC=C1 |
| InChIKey | RZGRWVULDSXQSM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-thienylacetate
Property Insights of Methyl 3-thienylacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-thienylacetate. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 3-thienylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-thienylacetate 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 Methyl 3-thienylacetate?
The CAS number of Methyl 3-thienylacetate is 58414-52-1.
What is the molecular formula of Methyl 3-thienylacetate?
The molecular formula of Methyl 3-thienylacetate is C7H8O2S.
What is the molecular weight of Methyl 3-thienylacetate?
The molecular weight of Methyl 3-thienylacetate is 156.0245 g/mol.
Where can I buy Methyl 3-thienylacetate?
You can request a quote for Methyl 3-thienylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-thienylacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-thienylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.