Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-
TL;DR: Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- (CAS 56948-16-4) is a chemical compound with molecular formula C16H16N2O8S and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethoxy-2-nitrophenyl)sulfanyl-4,5-dimethoxy-2-nitrobenzene
Also Known As: Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-, 1,1'-Thiobis(4,5-dimethoxy-2-nitrobenzene), 2,2'-Dinitro-4,4',5,5'-tetramethoxydiphenyl sulfide, 1,1'-Sulfanediylbis(4,5-dimethoxy-2-nitrobenzene), 3,4,3',4'-Tetramethoxy-6,6'-dinitro diphenyl sulfide
| Molecular Formula | C16H16N2O8S |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.06274 |
| Heavy Atoms | 27 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 56948-16-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)[N+](=O)[O-])SC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC |
| InChIKey | OBWSLWHQWNTPNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- (CAS 56948-16-4), with molecular formula C16H16N2O8S and molecular weight 396.06 g/mol. IUPAC: 1-(4,5-dimethoxy-2-nitrophenyl)sulfanyl-4,5-dimethoxy-2-nitrobenzene.
Chemical Property Profile of Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-
Property Insights of Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-
The XLogP value of 3.5 indicates that Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- has 0 hydrogen bond donor(s) and 9 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(4,5-dimethoxy-2-nitro-?
The CAS number of Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- is 56948-16-4.
What is the molecular formula of Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-?
The molecular formula of Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- is C16H16N2O8S.
What is the molecular weight of Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-?
The molecular weight of Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- is 396.06 g/mol.
Where can I buy Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-?
You can request a quote for Benzene, 1,1'-thiobis(4,5-dimethoxy-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(4,5-dimethoxy-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.