Dithiodibenzoic acid
TL;DR: Dithiodibenzoic acid (CAS 119-80-2) is a chemical compound with molecular formula C14H10O4S2 and molecular weight 306.00204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H10O4S2 |
| Molecular Weight | 306.00204 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.00204 Da |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
| Melting Point | 287 - 290 °C |
| Solubility | Solubility in water: none |
| SMILES | C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O |
| InChIKey | LBEMXJWGHIEXRA-UHFFFAOYSA-N |
Product Description
Applications: Dithiodibenzoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dithiodibenzoic acid (CAS 119-80-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Dithiodibenzoic acid (CAS 119-80-2) has the molecular formula C14H10O4S2 and a molecular weight of 306 g/mol. Reported properties include a solubility: Solubility in water: none. It is also known as 2,2'-Dithiodibenzoic acid and 2,2'-Dithiosalicylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 306.00204 g/mol.
What are the applications of Dithiodibenzoic acid?
Dithiodibenzoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dithiodibenzoic acid (CAS...
Where can I buy Dithiodibenzoic acid?
You can request a quote for Dithiodibenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dithiodibenzoic acid?
Yes, CoreyChem provides custom synthesis services for Dithiodibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.