4-Amino-3-(methylsulfanyl)benzoic acid
TL;DR: 4-Amino-3-(methylsulfanyl)benzoic acid (CAS 854675-09-5) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-methylsulfanylbenzoic acid
Also Known As: 4-amino-3-(methylthio)benzoic acid, 4-amino-3-(methylsulfanyl)benzoic acid, Benzoic acid, 4-amino-3-(methylthio)-, 4-amino-3-(methylsulfanyl)benzoicacid, 4-amino-3-methylsulfanyl-benzoic Acid
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.6889 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 854675-09-5 |
|---|---|
| SMILES | CSC1=C(C=CC(=C1)C(=O)O)N |
Product Overview
4-Amino-3-(methylsulfanyl)benzoic acid (CAS 854675-09-5), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: 4-amino-3-methylsulfanylbenzoic acid.
Chemical Property Profile of 4-Amino-3-(methylsulfanyl)benzoic acid
Property Insights of 4-Amino-3-(methylsulfanyl)benzoic acid
The XLogP value of 1.6889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-(methylsulfanyl)benzoic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-(methylsulfanyl)benzoic acid. Following Lipinski's Rule of Five, 4-Amino-3-(methylsulfanyl)benzoic acid has 2 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 4-Amino-3-(methylsulfanyl)benzoic acid?
The CAS number of 4-Amino-3-(methylsulfanyl)benzoic acid is 854675-09-5.
What is the molecular formula of 4-Amino-3-(methylsulfanyl)benzoic acid?
The molecular formula of 4-Amino-3-(methylsulfanyl)benzoic acid is C8H9NO2S.
What is the molecular weight of 4-Amino-3-(methylsulfanyl)benzoic acid?
The molecular weight of 4-Amino-3-(methylsulfanyl)benzoic acid is 183.04 g/mol.
Where can I buy 4-Amino-3-(methylsulfanyl)benzoic acid?
You can request a quote for 4-Amino-3-(methylsulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-(methylsulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-(methylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.