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 307.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene
Also Known As: Bis(3-nitrophenyl) disulfide, NITROPHENIDE, Megasul, Hinagen, 3-Nitrophenyl disulfide
| Molecular Formula | C12H8N2O4S2 |
|---|---|
| Molecular Weight | 307.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.99255 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 537-91-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SSC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ODOFDWDUSSFUMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(3-nitrophenyl) disulfide (CAS 537-91-7), with molecular formula C12H8N2O4S2 and molecular weight 307.99 g/mol. IUPAC: 1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene.
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
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 307.99 g/mol.
Where can I buy Bis(3-nitrophenyl) disulfide?
You can request a quote for Bis(3-nitrophenyl) disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-nitrophenyl) disulfide?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-nitrophenyl) disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.