2-Hydroxydithiobenzoic acid
TL;DR: 2-Hydroxydithiobenzoic acid (CAS 527-89-9) is a chemical compound with molecular formula C7H6OS2 and molecular weight 169.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxybenzenecarbodithioic acid
Also Known As: Dithiosalicylic acid, 2-Hydroxydithiobenzoic acid, Dithiosalicylicacid, 2-hydroxybenzenecarbodithioic acid, Salicylic acid, dithio-
| Molecular Formula | C7H6OS2 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.98601 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 527-89-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=S)S)O |
| InChIKey | AJQLEJAVGARHGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxydithiobenzoic acid (CAS 527-89-9), with molecular formula C7H6OS2 and molecular weight 169.99 g/mol. IUPAC: 2-hydroxybenzenecarbodithioic acid.
Chemical Property Profile of 2-Hydroxydithiobenzoic acid
Property Insights of 2-Hydroxydithiobenzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxydithiobenzoic acid. With a topological polar surface area (TPSA) of 53.3 Ų, 2-Hydroxydithiobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxydithiobenzoic 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 2-Hydroxydithiobenzoic acid?
The CAS number of 2-Hydroxydithiobenzoic acid is 527-89-9.
What is the molecular formula of 2-Hydroxydithiobenzoic acid?
The molecular formula of 2-Hydroxydithiobenzoic acid is C7H6OS2.
What is the molecular weight of 2-Hydroxydithiobenzoic acid?
The molecular weight of 2-Hydroxydithiobenzoic acid is 169.99 g/mol.
Where can I buy 2-Hydroxydithiobenzoic acid?
You can request a quote for 2-Hydroxydithiobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxydithiobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxydithiobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.