3-(3-Chloro-2-thienyl)acrylic acid
TL;DR: 3-(3-Chloro-2-thienyl)acrylic acid (CAS 1428227-36-4) is a chemical compound with molecular formula C7H5ClO2S and molecular weight 187.96988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chlorothiophen-2-yl)prop-2-enoic acid
Also Known As: 3-(3-chloro-2-thienyl)acrylic acid, 3-(3-chlorothiophen-2-yl)prop-2-enoic Acid, 3-(3-chlorothiophen-2-yl)acrylic acid, 2-Propenoic acid, 3-(3-chloro-2-thienyl)-, (2E)-3-(3-CHLOROTHIOPHEN-2-YL)PROP-2-ENOIC ACID
Technical Specifications
| Molecular Formula | C7H5ClO2S |
| Molecular Weight | 187.96988 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.96988 Da |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
| SMILES | C1=CSC(=C1Cl)C=CC(=O)O |
| InChIKey | KNXPMWWSPPOEBS-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Chloro-2-thienyl)acrylic acid
Property Insights of 3-(3-Chloro-2-thienyl)acrylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloro-2-thienyl)acrylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-2-thienyl)acrylic acid. Following Lipinski's Rule of Five, 3-(3-Chloro-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-Chloro-2-thienyl)acrylic acid?
The CAS number of 3-(3-Chloro-2-thienyl)acrylic acid is 1428227-36-4.
What is the molecular formula of 3-(3-Chloro-2-thienyl)acrylic acid?
The molecular formula of 3-(3-Chloro-2-thienyl)acrylic acid is C7H5ClO2S.
What is the molecular weight of 3-(3-Chloro-2-thienyl)acrylic acid?
The molecular weight of 3-(3-Chloro-2-thienyl)acrylic acid is 187.96988 g/mol.
Where can I buy 3-(3-Chloro-2-thienyl)acrylic acid?
You can request a quote for 3-(3-Chloro-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-Chloro-2-thienyl)acrylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Chloro-2-thienyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.