2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one
TL;DR: 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one (CAS 851110-77-5) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone
Also Known As: 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one, 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.70496 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 563.86536 |
Chemical Identifiers
| CAS Number | 851110-77-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)C(=O)CSC2=NC=NN2)C |
Product Overview
2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one (CAS 851110-77-5), with molecular formula C13H15N3OS and molecular weight 261.09 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone.
Chemical Property Profile of 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one
Property Insights of 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one
The XLogP value of 2.70496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one. With a topological polar surface area (TPSA) of 58.64 Ų, 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one has 1 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-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one?
The CAS number of 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one is 851110-77-5.
What is the molecular formula of 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one?
The molecular formula of 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one is C13H15N3OS.
What is the molecular weight of 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one?
The molecular weight of 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one is 261.09 g/mol.
Where can I buy 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one?
You can request a quote for 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)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 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4h-1,2,4-Triazol-3-yl)thio)-1-(2,4,5-trimethylphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.