4-Chloro-2-(methylsulfanyl)-1-nitrobenzene
TL;DR: 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene (CAS 70019-41-9) is a chemical compound with molecular formula C7H6ClNO2S and molecular weight 202.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanyl-1-nitrobenzene
Also Known As: 4-Chloro-2-(methylthio)-1-nitrobenzene, 5-Chloro-2-nitrothioanisole, 4-chloro-2-(methylsulfanyl)-1-nitrobenzene, 4-chloro-2-methylsulfanyl-1-nitrobenzene, (5-chloro-2-nitrophenyl)(methyl)sulfane
| Molecular Formula | C7H6ClNO2S |
|---|---|
| Molecular Weight | 202.98 g/mol |
| LogP | 2.9701 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.98077 |
| Heavy Atoms | 12 |
| Complexity | 316.27472 |
Chemical Identifiers
| CAS Number | 70019-41-9 |
|---|---|
| SMILES | CSC1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
Product Overview
4-Chloro-2-(methylsulfanyl)-1-nitrobenzene (CAS 70019-41-9), with molecular formula C7H6ClNO2S and molecular weight 202.98 g/mol. IUPAC: 4-chloro-2-methylsulfanyl-1-nitrobenzene.
Chemical Property Profile of 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene
Property Insights of 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene
The XLogP value of 2.9701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-2-(methylsulfanyl)-1-nitrobenzene?
The CAS number of 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene is 70019-41-9.
What is the molecular formula of 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene?
The molecular formula of 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene is C7H6ClNO2S.
What is the molecular weight of 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene?
The molecular weight of 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene is 202.98 g/mol.
Where can I buy 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene?
You can request a quote for 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.