![1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene structure](/static/products/851/85193-46-0.png)
1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene
TL;DR: 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene (CAS 85193-46-0) is a chemical compound with molecular formula C12H9ClN2O2S and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(2-nitrophenyl)sulfanylaniline
Also Known As: 1-[(3-chloroanilino)sulfanyl]-2-nitrobenzene, 3-chloro-N-(2-nitrophenyl)sulfanylaniline, AQ-012/12447010
| Molecular Formula | C12H9ClN2O2S |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 4.3674 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.00732 |
| Heavy Atoms | 18 |
| Complexity | 577.5088 |
Chemical Identifiers
| CAS Number | 85193-46-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SNC2=CC(=CC=C2)Cl |
Product Overview
1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene (CAS 85193-46-0), with molecular formula C12H9ClN2O2S and molecular weight 280.01 g/mol. IUPAC: 3-chloro-N-(2-nitrophenyl)sulfanylaniline.
Chemical Property Profile of 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene
Property Insights of 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene
The XLogP value of 4.3674 indicates that 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene 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 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene?
The CAS number of 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene is 85193-46-0.
What is the molecular formula of 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene?
The molecular formula of 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene is C12H9ClN2O2S.
What is the molecular weight of 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene?
The molecular weight of 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene is 280.01 g/mol.
Where can I buy 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene?
You can request a quote for 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloroanilino)sulfanyl]-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.