1-Chloro-4-(methylthio)-2-nitrobenzene
TL;DR: 1-Chloro-4-(methylthio)-2-nitrobenzene (CAS 1199-36-6) 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.
1-chloro-4-methylsulfanyl-2-nitrobenzene
Also Known As: 1-Chloro-4-(methylthio)-2-nitrobenzene, (4-chloro-3-nitrophenyl)(methyl)sulfane, 1-chloro-4-(methylsulfanyl)-2-nitrobenzene, 1-chloro-4-methylsulfanyl-2-nitrobenzene, Benzene, 1-chloro-4-(methylthio)-2-nitro-
| Molecular Formula | C7H6ClNO2S |
|---|---|
| Molecular Weight | 202.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.98077 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 1199-36-6 |
|---|---|
| SMILES | CSC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | UFLRXTNPCRROEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(methylthio)-2-nitrobenzene (CAS 1199-36-6), with molecular formula C7H6ClNO2S and molecular weight 202.98 g/mol. IUPAC: 1-chloro-4-methylsulfanyl-2-nitrobenzene.
Chemical Property Profile of 1-Chloro-4-(methylthio)-2-nitrobenzene
Property Insights of 1-Chloro-4-(methylthio)-2-nitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(methylthio)-2-nitrobenzene. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-4-(methylthio)-2-nitrobenzene. Following Lipinski's Rule of Five, 1-Chloro-4-(methylthio)-2-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 1-Chloro-4-(methylthio)-2-nitrobenzene?
The CAS number of 1-Chloro-4-(methylthio)-2-nitrobenzene is 1199-36-6.
What is the molecular formula of 1-Chloro-4-(methylthio)-2-nitrobenzene?
The molecular formula of 1-Chloro-4-(methylthio)-2-nitrobenzene is C7H6ClNO2S.
What is the molecular weight of 1-Chloro-4-(methylthio)-2-nitrobenzene?
The molecular weight of 1-Chloro-4-(methylthio)-2-nitrobenzene is 202.98 g/mol.
Where can I buy 1-Chloro-4-(methylthio)-2-nitrobenzene?
You can request a quote for 1-Chloro-4-(methylthio)-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-Chloro-4-(methylthio)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(methylthio)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.