4-(Methylthio)phenylacetic acid
TL;DR: 4-(Methylthio)phenylacetic acid (CAS 70290-37-8) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfanylphenyl)acetic acid
Also Known As: 4-(Methylthio)phenylacetic acid, 4-Methylthiophenylacetic acid, 2-(4-(methylthio)phenyl)acetic acid, Benzeneacetic acid, 4-(methylthio)-, (4-Methylsulfanylphenyl)acetic acid
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.0356 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 266.36197 |
Chemical Identifiers
| CAS Number | 70290-37-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CC(=O)O |
Product Overview
4-(Methylthio)phenylacetic acid (CAS 70290-37-8), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 2-(4-methylsulfanylphenyl)acetic acid.
Chemical Property Profile of 4-(Methylthio)phenylacetic acid
Property Insights of 4-(Methylthio)phenylacetic acid
The XLogP value of 2.0356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)phenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(Methylthio)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)phenylacetic acid has 1 hydrogen bond donor(s) and 2 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 4-(Methylthio)phenylacetic acid?
The CAS number of 4-(Methylthio)phenylacetic acid is 70290-37-8.
What is the molecular formula of 4-(Methylthio)phenylacetic acid?
The molecular formula of 4-(Methylthio)phenylacetic acid is C9H10O2S.
What is the molecular weight of 4-(Methylthio)phenylacetic acid?
The molecular weight of 4-(Methylthio)phenylacetic acid is 182.04 g/mol.
Where can I buy 4-(Methylthio)phenylacetic acid?
You can request a quote for 4-(Methylthio)phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.