3-(3-Methyl-2-thienyl)acrylic acid
TL;DR: 3-(3-Methyl-2-thienyl)acrylic acid (CAS 102696-70-8) 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.
(E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
Also Known As: 3-(3-Methyl-2-thienyl)acrylic acid, (E)-3-(3-methylthiophen-2-yl)acrylic acid, methylthienylacrylicacid, 3- ACRYLICACID, 3-(3-methylthiophen-2-yl)prop-2-enoic acid
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=C/C(=O)O |
| InChIKey | AUFDGOVNVKDTEB-NSCUHMNNSA-N |
Chemical Property Profile of 3-(3-Methyl-2-thienyl)acrylic acid
Property Insights of 3-(3-Methyl-2-thienyl)acrylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methyl-2-thienyl)acrylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methyl-2-thienyl)acrylic acid. Following Lipinski's Rule of Five, 3-(3-Methyl-2-thienyl)acrylic 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 3-(3-Methyl-2-thienyl)acrylic acid?
The CAS number of 3-(3-Methyl-2-thienyl)acrylic acid is 102696-70-8.
What is the molecular formula of 3-(3-Methyl-2-thienyl)acrylic acid?
The molecular formula of 3-(3-Methyl-2-thienyl)acrylic acid is C8H8O2S.
What is the molecular weight of 3-(3-Methyl-2-thienyl)acrylic acid?
The molecular weight of 3-(3-Methyl-2-thienyl)acrylic acid is 168.0245 g/mol.
Where can I buy 3-(3-Methyl-2-thienyl)acrylic acid?
You can request a quote for 3-(3-Methyl-2-thienyl)acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Methyl-2-thienyl)acrylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Methyl-2-thienyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.