![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 302.1089 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C16H18N2O2S |
| Molecular Weight | 302.1089 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1089 Da |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2 |
| InChIKey | MRVQLQCMYYWLEU-UHFFFAOYSA-N |
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 3.9 indicates that Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine. 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
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 302.1089 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl[4-(2-nitro-1-phenylthioethyl)phenyl]amine?
Yes, CoreyChem 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.