Bis(3-nitrophenyl) disulfide
TL;DR: Bis(3-nitrophenyl) disulfide (CAS 537-91-7) is a chemical compound with molecular formula C12H8N2O4S2 and molecular weight 307.99255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene
Also Known As: Bis(3-nitrophenyl) disulfide, NITROPHENIDE, Megasul, Hinagen, 3-Nitrophenyl disulfide
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8N2O4S2 |
| Molecular Weight | 307.99255 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.99255 Da |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
| SMILES | C1=CC(=CC(=C1)SSC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ODOFDWDUSSFUMN-UHFFFAOYSA-N |
Product Description
Applications: Bis(3-nitrophenyl) disulfide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Bis(3-nitrophenyl) disulfide is a pharmaceutical intermediate identified by CAS number 537-91-7 and the molecular formula C12H8N2O4S2 and a molecular weight of 307.99 g/mol. Synonyms include Bis(3-nitrophenyl) disulfide and NITROPHENIDE.
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 Bis(3-nitrophenyl) disulfide
Property Insights of Bis(3-nitrophenyl) disulfide
The XLogP value of 4.1 indicates that Bis(3-nitrophenyl) disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Bis(3-nitrophenyl) disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(3-nitrophenyl) disulfide has 0 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 Bis(3-nitrophenyl) disulfide?
The CAS number of Bis(3-nitrophenyl) disulfide is 537-91-7.
What is the molecular formula of Bis(3-nitrophenyl) disulfide?
The molecular formula of Bis(3-nitrophenyl) disulfide is C12H8N2O4S2.
What is the molecular weight of Bis(3-nitrophenyl) disulfide?
The molecular weight of Bis(3-nitrophenyl) disulfide is 307.99255 g/mol.
What are the applications of Bis(3-nitrophenyl) disulfide?
Bis(3-nitrophenyl) disulfide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Bis(3-nitrophenyl) disulfide?
You can request a quote for Bis(3-nitrophenyl) disulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(3-nitrophenyl) disulfide?
Yes, CoreyChem provides custom synthesis services for Bis(3-nitrophenyl) disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.