Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-
TL;DR: Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- (CAS 10580-80-0) is a chemical compound with molecular formula C12H4N6O14S and molecular weight 487.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfonylbenzene
Also Known As: Picryl sulfone, Dipicryl sulfone, Bis(2,4,6-trinitrophenyl) sulphone, Ex140, Bis(2,4,6-trinitrophenyl) sulfone
| Molecular Formula | C12H4N6O14S |
|---|---|
| Molecular Weight | 487.95 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 487.95062 |
| Heavy Atoms | 33 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 10580-80-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LBSKWFDEDNVDAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- (CAS 10580-80-0), with molecular formula C12H4N6O14S and molecular weight 487.95 g/mol. IUPAC: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfonylbenzene.
Chemical Property Profile of Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-
Property Insights of Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-. The TPSA of 317.0 Ų indicates high polarity, suggesting Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-?
The CAS number of Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- is 10580-80-0.
What is the molecular formula of Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-?
The molecular formula of Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- is C12H4N6O14S.
What is the molecular weight of Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-?
The molecular weight of Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- is 487.95 g/mol.
Where can I buy Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-?
You can request a quote for Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,1'-sulfonylbis(2,4,6-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.