![n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline structure](/static/products/6969/6969-12-6.webp)
n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline
TL;DR: n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline (CAS 6969-12-6) is a chemical compound with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)sulfanylmethyl]-2-nitroaniline
Also Known As: NCIOpen2_003035, n-{[(4-chlorophenyl)sulfanyl]methyl}-2-nitroaniline, N-[(4-chlorophenyl)sulfanylmethyl]-2-nitroaniline
| Molecular Formula | C13H11ClN2O2S |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.02298 |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 6969-12-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCSC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | AIHNQWNRXIXYDC-UHFFFAOYSA-N |
Product Overview
n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline (CAS 6969-12-6), with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol. IUPAC: N-[(4-chlorophenyl)sulfanylmethyl]-2-nitroaniline.
Chemical Property Profile of n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline
Property Insights of n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline
The XLogP value of 5.2 indicates that n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline. Following Lipinski's Rule of Five, n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline?
The CAS number of n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline is 6969-12-6.
What is the molecular formula of n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline?
The molecular formula of n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline is C13H11ClN2O2S.
What is the molecular weight of n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline?
The molecular weight of n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline is 294.02 g/mol.
Where can I buy n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline?
You can request a quote for n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for n-{[(4-Chlorophenyl)sulfanyl]methyl}-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.