1,2,4-Trichloro-5-(methylthio)benzene
TL;DR: 1,2,4-Trichloro-5-(methylthio)benzene (CAS 4163-78-4) is a chemical compound with molecular formula C7H5Cl3S and molecular weight 225.91776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-trichloro-5-methylsulfanylbenzene
Also Known As: 2,4,5-Trichlorothioanisole, Methyl 2,4,5-Trichlorophenyl Sulfide, methyl(2,4,5-trichlorophenyl)sulfane, 1,2,4-trichloro-5-methylsulfanylbenzene, 1,2,4-Trichloro-5-(methylsulfanyl)benzene
Technical Specifications
| Molecular Formula | C7H5Cl3S |
| Molecular Weight | 225.91776 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.91776 Da |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
| SMILES | CSC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | RWDHTEMSFGMSDP-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,4-Trichloro-5-(methylthio)benzene
Property Insights of 1,2,4-Trichloro-5-(methylthio)benzene
The XLogP value of 4.3 indicates that 1,2,4-Trichloro-5-(methylthio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1,2,4-Trichloro-5-(methylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-5-(methylthio)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,4-Trichloro-5-(methylthio)benzene?
The CAS number of 1,2,4-Trichloro-5-(methylthio)benzene is 4163-78-4.
What is the molecular formula of 1,2,4-Trichloro-5-(methylthio)benzene?
The molecular formula of 1,2,4-Trichloro-5-(methylthio)benzene is C7H5Cl3S.
What is the molecular weight of 1,2,4-Trichloro-5-(methylthio)benzene?
The molecular weight of 1,2,4-Trichloro-5-(methylthio)benzene is 225.91776 g/mol.
Where can I buy 1,2,4-Trichloro-5-(methylthio)benzene?
You can request a quote for 1,2,4-Trichloro-5-(methylthio)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4-Trichloro-5-(methylthio)benzene?
Yes, CoreyChem provides custom synthesis services for 1,2,4-Trichloro-5-(methylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.