![Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine structure](/static/products/1101/110113-58-1.webp)
Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine
TL;DR: Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine (CAS 110113-58-1) is a chemical compound with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(2-nitro-1-phenylsulfanylethyl)aniline
Also Known As: dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine, N,N-dimethyl-4-(2-nitro-1-phenylsulfanylethyl)aniline, N,N-dimethyl-4-[2-nitro-1-(phenylsulfanyl)ethyl]aniline
| Molecular Formula | C16H18N2O2S |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 3.8627 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.1089 |
| Heavy Atoms | 21 |
| Complexity | 584.9858 |
Chemical Identifiers
| CAS Number | 110113-58-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2 |
Product Overview
Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine (CAS 110113-58-1), with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol. IUPAC: N,N-dimethyl-4-(2-nitro-1-phenylsulfanylethyl)aniline.
Chemical Property Profile of Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine
Property Insights of Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine
The XLogP value of 3.8627 indicates that Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine 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 Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine?
The CAS number of Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine is 110113-58-1.
What is the molecular formula of Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine?
The molecular formula of Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine is C16H18N2O2S.
What is the molecular weight of Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine?
The molecular weight of Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine is 302.11 g/mol.
Where can I buy Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine?
You can request a quote for Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.