4-Mercaptophthalic acid
TL;DR: 4-Mercaptophthalic acid (CAS 82520-79-4) is a chemical compound with molecular formula C8H6O4S and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylphthalic acid
Also Known As: 4-mercaptophthalic acid, 4-sulfanylphthalic Acid, 4-mercaptophthalicacid, 4-sulfanylbenzene-1,2-dicarboxylic acid, 1,2-Benzenedicarboxylic acid, 4-mercapto-
| Molecular Formula | C8H6O4S |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 1.3717 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.99867 |
| Heavy Atoms | 13 |
| Complexity | 372.40683 |
Chemical Identifiers
| CAS Number | 82520-79-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S)C(=O)O)C(=O)O |
Product Overview
4-Mercaptophthalic acid (CAS 82520-79-4), with molecular formula C8H6O4S and molecular weight 198.00 g/mol. IUPAC: 4-sulfanylphthalic acid.
Chemical Property Profile of 4-Mercaptophthalic acid
Property Insights of 4-Mercaptophthalic acid
The XLogP value of 1.3717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercaptophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Mercaptophthalic acid. Following Lipinski's Rule of Five, 4-Mercaptophthalic acid has 3 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-Mercaptophthalic acid?
The CAS number of 4-Mercaptophthalic acid is 82520-79-4.
What is the molecular formula of 4-Mercaptophthalic acid?
The molecular formula of 4-Mercaptophthalic acid is C8H6O4S.
What is the molecular weight of 4-Mercaptophthalic acid?
The molecular weight of 4-Mercaptophthalic acid is 198.00 g/mol.
Where can I buy 4-Mercaptophthalic acid?
You can request a quote for 4-Mercaptophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Mercaptophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercaptophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.