2-Nitrophenyl 4-methoxyphenyl sulfide
TL;DR: 2-Nitrophenyl 4-methoxyphenyl sulfide (CAS 3169-69-5) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)sulfanyl-2-nitrobenzene
Also Known As: 2NO2Ph-S-4MeOPh, 2-Nitrophenyl 4-methoxyphenyl sulfide, (4-methoxyphenyl)(2-nitrophenyl)sulfane, 2-Nitrophenyl(4-methoxyphenyl) sulfide, 4-Methoxyphenyl(2-nitrophenyl) sulfide
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 3169-69-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | XTICKEODMBAWOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenyl 4-methoxyphenyl sulfide (CAS 3169-69-5), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: 1-(4-methoxyphenyl)sulfanyl-2-nitrobenzene.
Chemical Property Profile of 2-Nitrophenyl 4-methoxyphenyl sulfide
Property Insights of 2-Nitrophenyl 4-methoxyphenyl sulfide
The XLogP value of 3.8 indicates that 2-Nitrophenyl 4-methoxyphenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl 4-methoxyphenyl sulfide. Following Lipinski's Rule of Five, 2-Nitrophenyl 4-methoxyphenyl sulfide has 0 hydrogen bond donor(s) and 4 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 2-Nitrophenyl 4-methoxyphenyl sulfide?
The CAS number of 2-Nitrophenyl 4-methoxyphenyl sulfide is 3169-69-5.
What is the molecular formula of 2-Nitrophenyl 4-methoxyphenyl sulfide?
The molecular formula of 2-Nitrophenyl 4-methoxyphenyl sulfide is C13H11NO3S.
What is the molecular weight of 2-Nitrophenyl 4-methoxyphenyl sulfide?
The molecular weight of 2-Nitrophenyl 4-methoxyphenyl sulfide is 261.05 g/mol.
Where can I buy 2-Nitrophenyl 4-methoxyphenyl sulfide?
You can request a quote for 2-Nitrophenyl 4-methoxyphenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 4-methoxyphenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 4-methoxyphenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.