Dithiodibenzoic acid
TL;DR: Dithiodibenzoic acid (CAS 119-80-2) is a chemical compound with molecular formula C14H10O4S2 and molecular weight 306.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-carboxyphenyl)disulfanyl]benzoic acid
Also Known As: 2,2'-Dithiodibenzoic acid, 2,2'-Dithiosalicylic acid, Dithiosalicylic acid, Benzoic acid, 2,2'-dithiobis-, 2-[(2-Carboxyphenyl)disulfanyl]benzoic acid
| Molecular Formula | C14H10O4S2 |
|---|---|
| Molecular Weight | 306.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.00204 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
| Melting Point | 287 - 290 °C |
| Solubility | Solubility in water: none |
Chemical Identifiers
| CAS Number | 119-80-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O |
| InChIKey | LBEMXJWGHIEXRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithiodibenzoic acid (CAS 119-80-2), with molecular formula C14H10O4S2 and molecular weight 306.00 g/mol. IUPAC: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid.
Chemical Property Profile of Dithiodibenzoic acid
Property Insights of Dithiodibenzoic acid
The XLogP value of 3.1 indicates that Dithiodibenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiodibenzoic acid. Following Lipinski's Rule of Five, Dithiodibenzoic acid has 2 hydrogen bond donor(s) and 6 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 Dithiodibenzoic acid?
The CAS number of Dithiodibenzoic acid is 119-80-2.
What is the molecular formula of Dithiodibenzoic acid?
The molecular formula of Dithiodibenzoic acid is C14H10O4S2.
What is the molecular weight of Dithiodibenzoic acid?
The molecular weight of Dithiodibenzoic acid is 306.00 g/mol.
Where can I buy Dithiodibenzoic acid?
You can request a quote for Dithiodibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiodibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for Dithiodibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.