![2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline structure](/static/products/1762/176261-39-5.webp)
2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline
TL;DR: 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline (CAS 176261-39-5) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylaniline
Also Known As: S,S-diphenylsulphilimine, 2-{[1-(4-methoxyphenyl)-2-nitroethyl]sulfanyl}aniline, J2.570.314F, 2-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylaniline, F0163-0021
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.3875 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 616.57074 |
Chemical Identifiers
| CAS Number | 176261-39-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2N |
Product Overview
2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline (CAS 176261-39-5), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: 2-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylaniline.
Chemical Property Profile of 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline
Property Insights of 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline
The XLogP value of 3.3875 indicates that 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline. Following Lipinski's Rule of Five, 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline has 1 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 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline?
The CAS number of 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline is 176261-39-5.
What is the molecular formula of 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline?
The molecular formula of 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline is C15H16N2O3S.
What is the molecular weight of 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline?
The molecular weight of 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline is 304.09 g/mol.
Where can I buy 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline?
You can request a quote for 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(4-Methoxyphenyl)-2-nitroethyl]sulfanyl}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.