![4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene structure](/static/products/887/887574-77-8.png)
4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene
TL;DR: 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene (CAS 887574-77-8) 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.
5-chloro-2-methyl-N-(2-nitrophenyl)sulfanylaniline
Also Known As: 5-chloro-2-methyl-N-(2-nitrophenyl)sulfanylaniline, 4-chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene, AQ-012/11735237
| Molecular Formula | C13H11ClN2O2S |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 4.67582 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.02298 |
| Heavy Atoms | 19 |
| Complexity | 619.3422 |
Chemical Identifiers
| CAS Number | 887574-77-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NSC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene (CAS 887574-77-8), with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol. IUPAC: 5-chloro-2-methyl-N-(2-nitrophenyl)sulfanylaniline.
Chemical Property Profile of 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene
Property Insights of 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene
The XLogP value of 4.67582 indicates that 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene 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 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene?
The CAS number of 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene is 887574-77-8.
What is the molecular formula of 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene?
The molecular formula of 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene is C13H11ClN2O2S.
What is the molecular weight of 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene?
The molecular weight of 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene is 294.02 g/mol.
Where can I buy 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene?
You can request a quote for 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.