3-(Styrylthio)propanoic acid
TL;DR: 3-(Styrylthio)propanoic acid (CAS 1373334-44-1) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-2-phenylethenyl]sulfanylpropanoic acid
Also Known As: 3-(Styrylthio)propanoic acid, Maybridge1_007526, (Z)-Styrylthiopropionic acid, (E)-3-(styrylthio)propanoic acid, 3-{[2-Phenylvinyl]thio}propanoic acid
Technical Specifications
| Molecular Formula | C11H12O2S |
| Molecular Weight | 208.0558 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.0558 Da |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
| SMILES | C1=CC=C(C=C1)/C=C/SCCC(=O)O |
| InChIKey | KFDYJVLPKDVZJC-SOFGYWHQSA-N |
Chemical Property Profile of 3-(Styrylthio)propanoic acid
Property Insights of 3-(Styrylthio)propanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Styrylthio)propanoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Styrylthio)propanoic acid. Following Lipinski's Rule of Five, 3-(Styrylthio)propanoic 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-(Styrylthio)propanoic acid?
The CAS number of 3-(Styrylthio)propanoic acid is 1373334-44-1.
What is the molecular formula of 3-(Styrylthio)propanoic acid?
The molecular formula of 3-(Styrylthio)propanoic acid is C11H12O2S.
What is the molecular weight of 3-(Styrylthio)propanoic acid?
The molecular weight of 3-(Styrylthio)propanoic acid is 208.0558 g/mol.
Where can I buy 3-(Styrylthio)propanoic acid?
You can request a quote for 3-(Styrylthio)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Styrylthio)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Styrylthio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.