1-Nitro-3-((4-nitrophenyl)thio)benzene
TL;DR: 1-Nitro-3-((4-nitrophenyl)thio)benzene (CAS 53566-73-7) 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-3-(4-nitrophenyl)sulfanylbenzene
Also Known As: Dapsone Impurity 34, (3-Nitrophenyl)(4-nitrophenyl)sulfane, 1-Nitro-3-[(4-nitrophenyl)thio]benzene, 1-Nitro-3-((4-nitrophenyl)thio)benzene, 1-nitro-3-(4-nitrophenyl)sulfanylbenzene
| Molecular Formula | C12H8N2O4S |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 3.6542 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.02048 |
| Heavy Atoms | 19 |
| Complexity | 627.8814 |
Chemical Identifiers
| CAS Number | 53566-73-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-Nitro-3-((4-nitrophenyl)thio)benzene (CAS 53566-73-7), with molecular formula C12H8N2O4S and molecular weight 276.02 g/mol. IUPAC: 1-nitro-3-(4-nitrophenyl)sulfanylbenzene.
Chemical Property Profile of 1-Nitro-3-((4-nitrophenyl)thio)benzene
Property Insights of 1-Nitro-3-((4-nitrophenyl)thio)benzene
The XLogP value of 3.6542 indicates that 1-Nitro-3-((4-nitrophenyl)thio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-3-((4-nitrophenyl)thio)benzene. Following Lipinski's Rule of Five, 1-Nitro-3-((4-nitrophenyl)thio)benzene 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 1-Nitro-3-((4-nitrophenyl)thio)benzene?
The CAS number of 1-Nitro-3-((4-nitrophenyl)thio)benzene is 53566-73-7.
What is the molecular formula of 1-Nitro-3-((4-nitrophenyl)thio)benzene?
The molecular formula of 1-Nitro-3-((4-nitrophenyl)thio)benzene is C12H8N2O4S.
What is the molecular weight of 1-Nitro-3-((4-nitrophenyl)thio)benzene?
The molecular weight of 1-Nitro-3-((4-nitrophenyl)thio)benzene is 276.02 g/mol.
Where can I buy 1-Nitro-3-((4-nitrophenyl)thio)benzene?
You can request a quote for 1-Nitro-3-((4-nitrophenyl)thio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-3-((4-nitrophenyl)thio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3-((4-nitrophenyl)thio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.