![3-[4-(Methylsulfanyl)phenyl]acrylic acid structure](/static/products/1401/140134-65-2.webp)
3-[4-(Methylsulfanyl)phenyl]acrylic acid
TL;DR: 3-[4-(Methylsulfanyl)phenyl]acrylic acid (CAS 140134-65-2) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylsulfanylphenyl)prop-2-enoic acid
Also Known As: 3-(4-(Methylthio)phenyl)acrylic acid, 3-[4-(methylsulfanyl)phenyl]acrylic acid, p-[Methylthio]cinnamic acid, 3-(4-methylsulfanylphenyl)prop-2-enoic acid, 2-Propenoic acid, 3-[4-(methylthio)phenyl]-
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 140134-65-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C=CC(=O)O |
| InChIKey | AHBHKZCSIUIANZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[4-(Methylsulfanyl)phenyl]acrylic acid (CAS 140134-65-2), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 3-(4-methylsulfanylphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-[4-(Methylsulfanyl)phenyl]acrylic acid
Property Insights of 3-[4-(Methylsulfanyl)phenyl]acrylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Methylsulfanyl)phenyl]acrylic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Methylsulfanyl)phenyl]acrylic acid. Following Lipinski's Rule of Five, 3-[4-(Methylsulfanyl)phenyl]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
Frequently Asked Questions
What is the CAS number of 3-[4-(Methylsulfanyl)phenyl]acrylic acid?
The CAS number of 3-[4-(Methylsulfanyl)phenyl]acrylic acid is 140134-65-2.
What is the molecular formula of 3-[4-(Methylsulfanyl)phenyl]acrylic acid?
The molecular formula of 3-[4-(Methylsulfanyl)phenyl]acrylic acid is C10H10O2S.
What is the molecular weight of 3-[4-(Methylsulfanyl)phenyl]acrylic acid?
The molecular weight of 3-[4-(Methylsulfanyl)phenyl]acrylic acid is 194.04 g/mol.
Where can I buy 3-[4-(Methylsulfanyl)phenyl]acrylic acid?
You can request a quote for 3-[4-(Methylsulfanyl)phenyl]acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Methylsulfanyl)phenyl]acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Methylsulfanyl)phenyl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.