(E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
TL;DR: (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid (CAS 1049750-21-1) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-methylthiophen-2-yl)prop-2-enoic acid
Also Known As: 3-(3-Methyl-2-thienyl)acrylic acid, Bionet2_001061, 3-(3-Methylthiophen-2-yl)acrylic acid, (3-Methylthiophen-2-yl)acrylic acid, 3-(3-Methylthiophen-2-yl)acrylicacid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O2S |
| Molecular Weight | 168.0245 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 Da |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
| SMILES | CC1=C(SC=C1)C=CC(=O)O |
| InChIKey | AUFDGOVNVKDTEB-UHFFFAOYSA-N |
Chemical Property Profile of (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
Property Insights of (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid has 1 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 (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
The CAS number of (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid is 1049750-21-1.
What is the molecular formula of (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
The molecular formula of (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid is C8H8O2S.
What is the molecular weight of (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
The molecular weight of (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid is 168.0245 g/mol.
Where can I buy (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
You can request a quote for (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.