Benzene, 1,1'-thiobis[2-nitro-
TL;DR: Benzene, 1,1'-thiobis[2-nitro- (CAS 22100-66-9) is a chemical compound with molecular formula C12H8N2O4S and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-(2-nitrophenyl)sulfanylbenzene
Also Known As: benzene, 1,1'-thiobis[2-nitro-, Bis(2-nitrophenyl)sulfane, bis(2-nitrophenyl) sulfide, Bisnitrophenylsulfide, Dapsone Impurity 2
| Molecular Formula | C12H8N2O4S |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.02048 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 22100-66-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | MXWVNAOIXKIIJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,1'-thiobis[2-nitro- (CAS 22100-66-9), with molecular formula C12H8N2O4S and molecular weight 276.02 g/mol. IUPAC: 1-nitro-2-(2-nitrophenyl)sulfanylbenzene.
Chemical Property Profile of Benzene, 1,1'-thiobis[2-nitro-
Property Insights of Benzene, 1,1'-thiobis[2-nitro-
The XLogP value of 3.6 indicates that Benzene, 1,1'-thiobis[2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,1'-thiobis[2-nitro-. Following Lipinski's Rule of Five, Benzene, 1,1'-thiobis[2-nitro- has 0 hydrogen bond donor(s) and 5 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 Benzene, 1,1'-thiobis[2-nitro-?
The CAS number of Benzene, 1,1'-thiobis[2-nitro- is 22100-66-9.
What is the molecular formula of Benzene, 1,1'-thiobis[2-nitro-?
The molecular formula of Benzene, 1,1'-thiobis[2-nitro- is C12H8N2O4S.
What is the molecular weight of Benzene, 1,1'-thiobis[2-nitro-?
The molecular weight of Benzene, 1,1'-thiobis[2-nitro- is 276.02 g/mol.
Where can I buy Benzene, 1,1'-thiobis[2-nitro-?
You can request a quote for Benzene, 1,1'-thiobis[2-nitro- 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'-thiobis[2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,1'-thiobis[2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.