5,5'-Dithiobis(2-nitrobenzoic Acid)
TL;DR: 5,5'-Dithiobis(2-nitrobenzoic Acid) (CAS 69-78-3) is a chemical compound with molecular formula C14H8N2O8S2 and molecular weight 395.9722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
Also Known As: DTNB, Ellman's Reagent, 5,5'-Dithiobis(2-nitrobenzoic acid), Dithionitrobenzoic acid, Ellmans reagent
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H8N2O8S2 |
| Molecular Weight | 395.9722 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.9722 Da |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
| Purity | 99% |
| Melting Point | 240.0 |
| SMILES | C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
Product Description
Applications: 5,5'-Dithiobis(2-nitrobenzoic Acid) is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at 99%. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 5,5'-Dithiobis(2-nitrobenzoic Acid) (CAS 69-78-3) has the molecular formula C14H8N2O8S2 and a molecular weight of 395.97 g/mol. Synonyms include DTNB and Ellman's Reagent.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5,5'-Dithiobis(2-nitrobenzoic Acid)
Property Insights of 5,5'-Dithiobis(2-nitrobenzoic Acid)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5'-Dithiobis(2-nitrobenzoic Acid). The TPSA of 217.0 Ų indicates high polarity, suggesting 5,5'-Dithiobis(2-nitrobenzoic Acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-Dithiobis(2-nitrobenzoic Acid) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5,5'-Dithiobis(2-nitrobenzoic Acid)?
The CAS number of 5,5'-Dithiobis(2-nitrobenzoic Acid) is 69-78-3.
What is the molecular formula of 5,5'-Dithiobis(2-nitrobenzoic Acid)?
The molecular formula of 5,5'-Dithiobis(2-nitrobenzoic Acid) is C14H8N2O8S2.
What is the molecular weight of 5,5'-Dithiobis(2-nitrobenzoic Acid)?
The molecular weight of 5,5'-Dithiobis(2-nitrobenzoic Acid) is 395.9722 g/mol.
What are the applications of 5,5'-Dithiobis(2-nitrobenzoic Acid)?
5,5'-Dithiobis(2-nitrobenzoic Acid) is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at 99%. Available...
Where can I buy 5,5'-Dithiobis(2-nitrobenzoic Acid)?
You can request a quote for 5,5'-Dithiobis(2-nitrobenzoic Acid) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,5'-Dithiobis(2-nitrobenzoic Acid)?
Yes, CoreyChem provides custom synthesis services for 5,5'-Dithiobis(2-nitrobenzoic Acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.