3-(Methylthio)benzoic Acid
TL;DR: 3-(Methylthio)benzoic Acid (CAS 65148-70-1) 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.
3-methylsulfanylbenzoic acid
Also Known As: 3-(Methylthio)benzoic acid, 3-methylsulfanylbenzoic acid, 3-(Methylsulfanyl)benzoic acid, 3-(methylthio) benzoic acid, 3- benzoicacid
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 65148-70-1 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)C(=O)O |
| InChIKey | PZGADOOBMVLBJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylthio)benzoic Acid (CAS 65148-70-1), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 3-methylsulfanylbenzoic acid.
Chemical Property Profile of 3-(Methylthio)benzoic Acid
Property Insights of 3-(Methylthio)benzoic Acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)benzoic Acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylthio)benzoic Acid. Following Lipinski's Rule of Five, 3-(Methylthio)benzoic 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-(Methylthio)benzoic Acid?
The CAS number of 3-(Methylthio)benzoic Acid is 65148-70-1.
What is the molecular formula of 3-(Methylthio)benzoic Acid?
The molecular formula of 3-(Methylthio)benzoic Acid is C8H8O2S.
What is the molecular weight of 3-(Methylthio)benzoic Acid?
The molecular weight of 3-(Methylthio)benzoic Acid is 168.02 g/mol.
Where can I buy 3-(Methylthio)benzoic Acid?
You can request a quote for 3-(Methylthio)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.