1-(Methoxysulfanyl)-4-nitrobenzene
TL;DR: 1-(Methoxysulfanyl)-4-nitrobenzene (CAS 53897-93-1) is a chemical compound with molecular formula C7H7NO3S and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxysulfanyl-4-nitrobenzene
Also Known As: methyl 4-nitrophenylsulfenate, 1-(Methoxysulfanyl)-4-nitrobenzene, 1-methoxysulfanyl-4-nitrobenzene, RefChem:226792
| Molecular Formula | C7H7NO3S |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.01466 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 53897-93-1 |
|---|---|
| SMILES | COSC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | KPWFXTKCWYSYFX-UHFFFAOYSA-N |
Product Overview
1-(Methoxysulfanyl)-4-nitrobenzene (CAS 53897-93-1), with molecular formula C7H7NO3S and molecular weight 185.01 g/mol. IUPAC: 1-methoxysulfanyl-4-nitrobenzene.
Chemical Property Profile of 1-(Methoxysulfanyl)-4-nitrobenzene
Property Insights of 1-(Methoxysulfanyl)-4-nitrobenzene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methoxysulfanyl)-4-nitrobenzene. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Methoxysulfanyl)-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(Methoxysulfanyl)-4-nitrobenzene 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 1-(Methoxysulfanyl)-4-nitrobenzene?
The CAS number of 1-(Methoxysulfanyl)-4-nitrobenzene is 53897-93-1.
What is the molecular formula of 1-(Methoxysulfanyl)-4-nitrobenzene?
The molecular formula of 1-(Methoxysulfanyl)-4-nitrobenzene is C7H7NO3S.
What is the molecular weight of 1-(Methoxysulfanyl)-4-nitrobenzene?
The molecular weight of 1-(Methoxysulfanyl)-4-nitrobenzene is 185.01 g/mol.
Where can I buy 1-(Methoxysulfanyl)-4-nitrobenzene?
You can request a quote for 1-(Methoxysulfanyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methoxysulfanyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methoxysulfanyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.