2,4-Bis(methylsulfanyl)-1-nitrobenzene
TL;DR: 2,4-Bis(methylsulfanyl)-1-nitrobenzene (CAS 78227-85-7) is a chemical compound with molecular formula C8H9NO2S2 and molecular weight 215.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(methylsulfanyl)-1-nitrobenzene
Also Known As: 2,4-bis(methylsulfanyl)-1-nitrobenzene, 2,4-bis(methylthio)nitrobenzene, AE-562/12222321
| Molecular Formula | C8H9NO2S2 |
|---|---|
| Molecular Weight | 215.01 g/mol |
| LogP | 3.0386 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.00748 |
| Heavy Atoms | 13 |
| Complexity | 327.9201 |
Chemical Identifiers
| CAS Number | 78227-85-7 |
|---|---|
| SMILES | CSC1=CC(=C(C=C1)[N+](=O)[O-])SC |
Product Overview
2,4-Bis(methylsulfanyl)-1-nitrobenzene (CAS 78227-85-7), with molecular formula C8H9NO2S2 and molecular weight 215.01 g/mol. IUPAC: 2,4-bis(methylsulfanyl)-1-nitrobenzene.
Chemical Property Profile of 2,4-Bis(methylsulfanyl)-1-nitrobenzene
Property Insights of 2,4-Bis(methylsulfanyl)-1-nitrobenzene
The XLogP value of 3.0386 indicates that 2,4-Bis(methylsulfanyl)-1-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2,4-Bis(methylsulfanyl)-1-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(methylsulfanyl)-1-nitrobenzene has 0 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 2,4-Bis(methylsulfanyl)-1-nitrobenzene?
The CAS number of 2,4-Bis(methylsulfanyl)-1-nitrobenzene is 78227-85-7.
What is the molecular formula of 2,4-Bis(methylsulfanyl)-1-nitrobenzene?
The molecular formula of 2,4-Bis(methylsulfanyl)-1-nitrobenzene is C8H9NO2S2.
What is the molecular weight of 2,4-Bis(methylsulfanyl)-1-nitrobenzene?
The molecular weight of 2,4-Bis(methylsulfanyl)-1-nitrobenzene is 215.01 g/mol.
Where can I buy 2,4-Bis(methylsulfanyl)-1-nitrobenzene?
You can request a quote for 2,4-Bis(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 2,4-Bis(methylsulfanyl)-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(methylsulfanyl)-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.