1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene
TL;DR: 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene (CAS 68232-56-4) is a chemical compound with molecular formula C9H9Cl3S3 and molecular weight 317.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-3,5,6-tris(methylsulfanyl)benzene
Also Known As: Tegalide, 2,6-Dichlor-4-methyl-anisol, 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene, 1,2,4-trichloro-3,5,6-tris(methylsulfanyl)benzene, Benzene, 1,2,4-trichloro-3,5,6-tris(methylthio)-
| Molecular Formula | C9H9Cl3S3 |
|---|---|
| Molecular Weight | 317.89 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.8932 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 68232-56-4 |
|---|---|
| SMILES | CSC1=C(C(=C(C(=C1Cl)SC)Cl)Cl)SC |
| InChIKey | GMAATBJMMXTSDL-UHFFFAOYSA-N |
Product Overview
1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene (CAS 68232-56-4), with molecular formula C9H9Cl3S3 and molecular weight 317.89 g/mol. IUPAC: 1,2,4-trichloro-3,5,6-tris(methylsulfanyl)benzene.
Chemical Property Profile of 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene
Property Insights of 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene
The XLogP value of 5.3 indicates that 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene. Following Lipinski's Rule of Five, 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene?
The CAS number of 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene is 68232-56-4.
What is the molecular formula of 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene?
The molecular formula of 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene is C9H9Cl3S3.
What is the molecular weight of 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene?
The molecular weight of 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene is 317.89 g/mol.
Where can I buy 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene?
You can request a quote for 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Tris(methylthio)-3,5,6-trichlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.