2-Mercaptophenylacetic acid
TL;DR: 2-Mercaptophenylacetic acid (CAS 39161-85-8) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfanylphenyl)acetic acid
Also Known As: 2-MERCAPTOPHENYLACETIC ACID, 2-(2-sulfanylphenyl)acetic Acid, 2-Mercaptobenzeneacetic Acid, o-Mercaptophenylacetic Acid, Benzeneacetic acid, 2-mercapto-
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.6024 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 270.5495 |
Chemical Identifiers
| CAS Number | 39161-85-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)S |
Product Overview
2-Mercaptophenylacetic acid (CAS 39161-85-8), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 2-(2-sulfanylphenyl)acetic acid.
Chemical Property Profile of 2-Mercaptophenylacetic acid
Property Insights of 2-Mercaptophenylacetic acid
The XLogP value of 1.6024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptophenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Mercaptophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptophenylacetic acid has 2 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 2-Mercaptophenylacetic acid?
The CAS number of 2-Mercaptophenylacetic acid is 39161-85-8.
What is the molecular formula of 2-Mercaptophenylacetic acid?
The molecular formula of 2-Mercaptophenylacetic acid is C8H8O2S.
What is the molecular weight of 2-Mercaptophenylacetic acid?
The molecular weight of 2-Mercaptophenylacetic acid is 168.02 g/mol.
Where can I buy 2-Mercaptophenylacetic acid?
You can request a quote for 2-Mercaptophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.