2,4-Bis-(methylthio)-1-chlorobenzene
TL;DR: 2,4-Bis-(methylthio)-1-chlorobenzene (CAS 78987-58-3) is a chemical compound with molecular formula C8H9ClS2 and molecular weight 203.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,4-bis(methylsulfanyl)benzene
Also Known As: 2,4-Bis(methylthio)-1-chlorobenzene, 1-chloro-2,4-bis(methylsulfanyl)benzene, 2,4-Bis(methylthio)chlorobenzene, 2,4-Bis-(methylthio)-1-chlorobenzene, (4-chloro-1,3-phenylene)bis(methylsulfane)
| Molecular Formula | C8H9ClS2 |
|---|---|
| Molecular Weight | 203.98 g/mol |
| LogP | 3.7838 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.98341 |
| Heavy Atoms | 11 |
| Complexity | 247.84741 |
Chemical Identifiers
| CAS Number | 78987-58-3 |
|---|---|
| SMILES | CSC1=CC(=C(C=C1)Cl)SC |
Product Overview
2,4-Bis-(methylthio)-1-chlorobenzene (CAS 78987-58-3), with molecular formula C8H9ClS2 and molecular weight 203.98 g/mol. IUPAC: 1-chloro-2,4-bis(methylsulfanyl)benzene.
Chemical Property Profile of 2,4-Bis-(methylthio)-1-chlorobenzene
Property Insights of 2,4-Bis-(methylthio)-1-chlorobenzene
The XLogP value of 3.7838 indicates that 2,4-Bis-(methylthio)-1-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Bis-(methylthio)-1-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis-(methylthio)-1-chlorobenzene has 0 hydrogen bond donor(s) and 2 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-(methylthio)-1-chlorobenzene?
The CAS number of 2,4-Bis-(methylthio)-1-chlorobenzene is 78987-58-3.
What is the molecular formula of 2,4-Bis-(methylthio)-1-chlorobenzene?
The molecular formula of 2,4-Bis-(methylthio)-1-chlorobenzene is C8H9ClS2.
What is the molecular weight of 2,4-Bis-(methylthio)-1-chlorobenzene?
The molecular weight of 2,4-Bis-(methylthio)-1-chlorobenzene is 203.98 g/mol.
Where can I buy 2,4-Bis-(methylthio)-1-chlorobenzene?
You can request a quote for 2,4-Bis-(methylthio)-1-chlorobenzene 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-(methylthio)-1-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis-(methylthio)-1-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.