1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one
TL;DR: 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one (CAS 749219-92-9) is a chemical compound with molecular formula C11H9Cl2N3OS and molecular weight 300.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dichlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one, 1-(2,5-dichlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one, 1-(2,5-dichlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C11H9Cl2N3OS |
|---|---|
| Molecular Weight | 300.98 g/mol |
| LogP | 3.0969 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.98434 |
| Heavy Atoms | 18 |
| Complexity | 585.41736 |
Chemical Identifiers
| CAS Number | 749219-92-9 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)C2=C(C=CC(=C2)Cl)Cl |
Product Overview
1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one (CAS 749219-92-9), with molecular formula C11H9Cl2N3OS and molecular weight 300.98 g/mol. IUPAC: 1-(2,5-dichlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one
Property Insights of 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one
The XLogP value of 3.0969 indicates that 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one 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 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one?
The CAS number of 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one is 749219-92-9.
What is the molecular formula of 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one?
The molecular formula of 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one is C11H9Cl2N3OS.
What is the molecular weight of 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one?
The molecular weight of 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one is 300.98 g/mol.
Where can I buy 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one?
You can request a quote for 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Dichlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.