![2-[(2-Nitro-1-phenylethyl)thio]aniline structure](/static/products/1762/176261-33-9.webp)
2-[(2-Nitro-1-phenylethyl)thio]aniline
TL;DR: 2-[(2-Nitro-1-phenylethyl)thio]aniline (CAS 176261-33-9) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitro-1-phenylethyl)sulfanylaniline
Also Known As: S,S-diphenylsulphilimine, 2-[(2-nitro-1-phenylethyl)thio]aniline, 2-(2-nitro-1-phenylethyl)sulfanylaniline, 2-[(2-nitro-1-phenylethyl)sulfanyl]aniline, 2-(2-nitro-1-phenyl-ethyl)sulfanylaniline
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 3.3789 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 560.38226 |
Chemical Identifiers
| CAS Number | 176261-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2N |
Product Overview
2-[(2-Nitro-1-phenylethyl)thio]aniline (CAS 176261-33-9), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: 2-(2-nitro-1-phenylethyl)sulfanylaniline.
Chemical Property Profile of 2-[(2-Nitro-1-phenylethyl)thio]aniline
Property Insights of 2-[(2-Nitro-1-phenylethyl)thio]aniline
The XLogP value of 3.3789 indicates that 2-[(2-Nitro-1-phenylethyl)thio]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Nitro-1-phenylethyl)thio]aniline. Following Lipinski's Rule of Five, 2-[(2-Nitro-1-phenylethyl)thio]aniline has 1 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-[(2-Nitro-1-phenylethyl)thio]aniline?
The CAS number of 2-[(2-Nitro-1-phenylethyl)thio]aniline is 176261-33-9.
What is the molecular formula of 2-[(2-Nitro-1-phenylethyl)thio]aniline?
The molecular formula of 2-[(2-Nitro-1-phenylethyl)thio]aniline is C14H14N2O2S.
What is the molecular weight of 2-[(2-Nitro-1-phenylethyl)thio]aniline?
The molecular weight of 2-[(2-Nitro-1-phenylethyl)thio]aniline is 274.08 g/mol.
Where can I buy 2-[(2-Nitro-1-phenylethyl)thio]aniline?
You can request a quote for 2-[(2-Nitro-1-phenylethyl)thio]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Nitro-1-phenylethyl)thio]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Nitro-1-phenylethyl)thio]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.