![3-[4-(Methylsulfanyl)phenyl]propanoic acid structure](/static/products/1384/138485-81-1.webp)
3-[4-(Methylsulfanyl)phenyl]propanoic acid
TL;DR: 3-[4-(Methylsulfanyl)phenyl]propanoic acid (CAS 138485-81-1) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylsulfanylphenyl)propanoic acid
Also Known As: 3-(4-(methylthio)phenyl)propanoic acid, Benzenepropanoic acid, 4-(methylthio)-, 3-(4-methylsulfanylphenyl)propanoic Acid, 3-[4-(methylsulfanyl)phenyl]propanoic acid, 3-[4-(Methylthio)phenyl]propionic acid
Technical Specifications
| Molecular Formula | C10H12O2S |
| Molecular Weight | 196.0558 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 Da |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| SMILES | CSC1=CC=C(C=C1)CCC(=O)O |
| InChIKey | ASTVFRXZLBGVRL-UHFFFAOYSA-N |
Chemical Property Profile of 3-[4-(Methylsulfanyl)phenyl]propanoic acid
Property Insights of 3-[4-(Methylsulfanyl)phenyl]propanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Methylsulfanyl)phenyl]propanoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Methylsulfanyl)phenyl]propanoic acid. Following Lipinski's Rule of Five, 3-[4-(Methylsulfanyl)phenyl]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-[4-(Methylsulfanyl)phenyl]propanoic acid?
The CAS number of 3-[4-(Methylsulfanyl)phenyl]propanoic acid is 138485-81-1.
What is the molecular formula of 3-[4-(Methylsulfanyl)phenyl]propanoic acid?
The molecular formula of 3-[4-(Methylsulfanyl)phenyl]propanoic acid is C10H12O2S.
What is the molecular weight of 3-[4-(Methylsulfanyl)phenyl]propanoic acid?
The molecular weight of 3-[4-(Methylsulfanyl)phenyl]propanoic acid is 196.0558 g/mol.
Where can I buy 3-[4-(Methylsulfanyl)phenyl]propanoic acid?
You can request a quote for 3-[4-(Methylsulfanyl)phenyl]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[4-(Methylsulfanyl)phenyl]propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[4-(Methylsulfanyl)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.